Mercurial > repos > fgiacomoni > golm_ws_lib_search

--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/MANUAL_INSTALL.txt	Mon Dec 05 08:32:04 2016 -0500
@@ -0,0 +1,55 @@
+## ****** MON_MODULE environnemnt : ****** ##
+# version 1.0 XX.XX.2016 G Cretin / F Giacomoni / Y Guitton
+
+## --- PERL compilator / libraries : --- ##
+$ perl -v
+This is perl, v5.18.2 built for x86_64-linux-gnu-thread-multi
+
+# libs CORE PERL :
+use strict ;
+use warnings ;
+use Carp qw (cluck croak carp) ;
+use Exporter ;
+use Data::Dumper ;
+use Getopt::Long ;
+use FindBin ;
+
+# libs CPAN PERL :
+$ perl -e 'use SOAP::Lite +trace => [qw (debug)] ;'
+$ perl -e 'use Excel::Writer::XLSX ;'
+$ perl -e 'use JSON ;'
+$ perl -e 'use HTML::Template ;'
+
+
+# libs pfem PERL :
+use lib::golm_ws_api qw( :ALL ) ;
+use lib::msp qw( :ALL ) ;
+use lib::output qw( :ALL ) ;
+--
+
+## --- R bin and Packages : --- ##
+
+No interaction with R
+
+--
+
+## --- Binary dependencies --- ##
+
+NA
+
+--
+
+## --- Config : --- ##
+NA
+
+--
+
+## --- XML HELP PART --- ##
+
+--
+
+## --- DATASETS --- ##
+--
+
+## --- ??? COMMENTS ??? --- ##
+--
\ No newline at end of file
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/README.md	Mon Dec 05 08:32:04 2016 -0500
@@ -0,0 +1,53 @@
+Golm Metabolome Database search spectrum for Galaxy
+===================================================
+
+[![bioconda-badge](https://img.shields.io/badge/install%20with-bioconda-brightgreen.svg?style=flat-square)](http://bioconda.github.io) [![Build Status](https://travis-ci.org/workflow4metabolomics/tool-bank-golm-lib_search.svg?branch=master)](https://travis-ci.org/workflow4metabolomics/tool-bank-golm-lib_search)
+
+Our project
+-----------
+The [Workflow4Metabolomics](http://workflow4metabolomics.org), W4M in short, is a French infrastructure offering software tool processing, analyzing and annotating metabolomics data. It is based on the Galaxy platform.
+
+
+Golm Metabolome Database search spectrum
+----------------------------------------
+
+Tool using the Golm Library Search WS.
+
+
+Galaxy
+------
+Galaxy is an open, web-based platform for data intensive biomedical research. Whether on the free public server or your own instance, you can perform, reproduce, and share complete analyses.
+
+Homepage: [https://galaxyproject.org/](https://galaxyproject.org/)
+
+
+Dependencies using Conda
+------------------------
+[![bioconda-badge](https://img.shields.io/badge/install%20with-bioconda-brightgreen.svg?style=flat-square)](http://bioconda.github.io)
+
+
+[Conda](http://conda.pydata.org/) is package manager that among many other things can be used to manage Python packages.
+
+```
+#To install miniconda2
+#http://conda.pydata.org/miniconda.html
+#To install the tool dependencies using conda:
+conda install perl-soap-lite perl-list-moreutils perl-json perl-html-template
+#To set an environment:
+conda create -n tool-bank-golm-lib_search perl-soap-lite perl-list-moreutils perl-json perl-html-template`
+#To activate the environment:
+. activate tool-bank-golm-lib_search
+```
+
+
+Travis
+------
+[![Build Status](https://travis-ci.org/workflow4metabolomics/tool-bank-golm-lib_search.svg?branch=master)](https://travis-ci.org/workflow4metabolomics/tool-bank-golm-lib_search)
+
+Test and Deploy with Confidence. Easily sync your GitHub projects with Travis CI and you'll be testing your code in minutes!
+
+Historic contributors
+---------------------
+ - Yann Guitton @yguitton - [LABERCA - Laboratory of Food Contaminants and Residue Analysis](http://www.laberca.org/) - Ecole Nationale Vétérinaire, Agroalimentaire et de l'Alimentation Nantes-Atlantique - France
+ - Gabriel Cretin - [French Metabolomics and Fluxomics Infrastructure (MetaboHUB)](http://www.metabohub.fr/en) - [La plateforme "Exploration du Métabolisme" (PFEM, Clermont-Ferrand)](http://www6.clermont.inra.fr/plateforme_exploration_metabolisme)
+ - Franck Giacomoni @fgiacomoni - [French Metabolomics and Fluxomics Infrastructure (MetaboHUB)](http://www.metabohub.fr/en) - [La plateforme "Exploration du Métabolisme" (PFEM, Clermont-Ferrand)](http://www6.clermont.inra.fr/plateforme_exploration_metabolisme)
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/conf_golm.cfg	Mon Dec 05 08:32:04 2016 -0500
@@ -0,0 +1,21 @@
+## Conf file for golm_ws_lib_search.pl script
+#
+## Version of
+VERSION=2016-06-24
+#
+## WEB-SERVICE URLS
+WS_URL=http://gmd.mpimp-golm.mpg.de
+WS_PROXY=http://gmd.mpimp-golm.mpg.de/webservices/wsLibrarySearch.asmx
+#
+##REFERENCE TO GOLM DESCRIPTION WEBSITES URLS
+METABOLITE_REF=http://gmd.mpimp-golm.mpg.de/Metabolites/
+ANALYTE_REF=http://gmd.mpimp-golm.mpg.de/Analytes/
+SPECTRUM_REF=http://gmd.mpimp-golm.mpg.de/Spectrums/
+#
+## DEFAULT SEARCH VALUES
+RI=1500
+RI_WINDOW=3000
+GC_COLUMN=VAR5
+#
+## DEFAULT NUMBER OF ENTRIES VIEW
+DEFAULT_ENTRIES=10
\ No newline at end of file
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/golm_out.tmpl	Mon Dec 05 08:32:04 2016 -0500
@@ -0,0 +1,11 @@
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+</script><title>Golm Search Results</title></head><body><div class='mdl-layout mdl-js-layout mdl-layout--fixed-header'> <header class='mdl-layout__header'><div class='mdl-layout__header-row'> <span class='mdl-layout-title'><h3><b>Visualization of Golm Database Results</b></h3></span></div><div class='mdl-layout__tab-bar mdl-js-ripple-effect'> <a href='#fixed-tab-1' class='mdl-layout__tab is-active'><b>Table</b></a> <a href='#fixed-tab-2' class='mdl-layout__tab'><b>Help</b></a></div> </header> <main class='mdl-layout__content'> <section class='mdl-layout__tab-panel is-active' id='fixed-tab-1'><div class='page-content'><table id='table_id' class='display stripe' cellspacing='0' width='100%' ><thead><tr><th colspan='1'></th><th colspan='2' style='text-align:center'>NAMES</th><th colspan='2' style='text-align:center'>RETENTION INFOS</th><th colspan='5' style='text-align:center'>DISTANCE SCORES</th><th colspan='3' style='text-align:center'>IDs</th></tr><tr><th style='text-align:center;border-left: 1px solid #A7A7A7;'>N° Spectres</th><th style='text-align:center;border-left: 1px solid #A7A7A7;'>Spectrum</th><th style='text-align:center;border-right: 1px solid #A7A7A7;'>Analyte</th><th style='text-align:center'>Retention Index</th><th style='text-align:center;border-right: 1px solid #A7A7A7;'>RI Discrepancy</th><th style='text-align:center'>Dot product</th><th style='text-align:center'>Euclidean</th><th style='text-align:center'>Jaccard</th><th style='text-align:center'>Hamming</th><th style='text-align:center;border-right: 1px solid #A7A7A7;'>s12 Gower-Legendre</th><th style='text-align:center'>Spectrum id</th><th style='text-align:center'>Metabolite id</th><th style='text-align:center;border-right: 1px solid #A7A7A7;'>Analyte id</th></tr></thead><tfoot><tr><th style='text-align:center'>N° Spectre</th><th style='text-align:center'>Spectrum</th><th style='text-align:center'>Analyte</th><th style='text-align:center'>Retention Index</th><th style='text-align:center'>RI Discrepancy</th><th style='text-align:center'>Dot product</th><th style='text-align:center'>Euclidean</th><th style='text-align:center'>Jaccard</th><th style='text-align:center'>Hamming</th><th style='text-align:center'>s12 Gower-Legendre</th><th style='text-align:center'>Spectrum id</th><th style='text-align:center'>Metabolite id</th><th style='text-align:center'>Analyte id</th></tr></tfoot><tbody> <TMPL_LOOP NAME=GROUPS><tr><td><TMPL_VAR NAME=ID></td><td><a href='<TMPL_VAR NAME=SPECTRUM_REF>' target='_blank'><TMPL_VAR NAME=SPECTRUM_NAME></a></td><td><a href='<TMPL_VAR NAME=ANALYTE_REF>' target='_blank'><TMPL_VAR NAME=ANALYTE_NAME></a></td><td><TMPL_VAR NAME=RI></td><td><TMPL_VAR NAME=RI_DISCREPANCY></td><td><TMPL_VAR NAME=DOT_PRODUCT_DISTANCE></td><td><TMPL_VAR NAME=EUCLIDEAN_DISTANCE></td><td><TMPL_VAR NAME=JACCARD_DISTANCE></td><td><TMPL_VAR NAME=HAMMING_DISTANCE></td><td><TMPL_VAR NAME=S12_GOWER_LEGENDRE_DISTANCE></td><td><TMPL_VAR NAME=SPECTRUM_ID></td><td><a href='<TMPL_VAR NAME=METABOLITE_REF>' target='_blank'><TMPL_VAR NAME=METABOLITE_ID></a></td><td><TMPL_VAR NAME=ANALYTE_ID></td></tr> </TMPL_LOOP></tbody></table></div><div class='mdl-tooltip mdl-tooltip--bottom' for='mytooltip1'> print</div><div class='mdl-tooltip mdl-tooltip--bottom' for='mytooltip2'> copy</div><div class='mdl-tooltip mdl-tooltip--bottom' for='mytooltip3'> export</div> </section> <section class='mdl-layout__tab-panel' id='fixed-tab-2'><div class='page-content'><center> </br></br><div class='card-wide mdl-card mdl-shadow--3dp'> <figure class='mdl-card__media' style='background-color: white'> <img src='http://m.hiapphere.com/data/icon/201506/HiAppHere_com_com.javiersantos.materialid.png' style='height: 60px; width: 60px;'> </figure><div class='mdl-card__title'><h1 class='mdl-card__title-text'>What can the table do ?</h1></div><div class='mdl-card__supporting-text'><ul class='list-icon mdl-list'><li class='mdl-list__item'> <span class='mdl-list__item-primary-content'> <i class='material-icons mdl-list__item-icon'>filter_list</i> By default, the spectra numbers (N° Spectra) are ordered by ascending values. You can manage your data ordering as you wish. You can even order data according to multiple columns: SHIFT + LEFT CLICK on column headers. This will order by the first column clicked, then the second, etc. You can sort data specifically by clicking on any entry in boxes under each columns. </span></li><li class='mdl-list__item'> <span class='mdl-list__item-primary-content'> <i class='material-icons mdl-list__item-icon'>delete_sweep</i> You can delete multiple entries that are selected: Select wanted entries and click on the button DELETE SELECTED ROWS. </span></li><li class='mdl-list__item'> <span class='mdl-list__item-primary-content'> <i class='material-icons mdl-list__item-icon'>remove_red_eye</i> You have the possibility to toggle columns by clicking on SHOW MORE. </span></li><li class='mdl-list__item'> <span class='mdl-list__item-primary-content'> <i class='material-icons mdl-list__item-icon'>save</i> You can print, copy, or export to excel and csv the table on its actual state, with the three buttons right above the table. </span></li></ul></div></div> </br><div id="large_card" class='card-wide mdl-card mdl-shadow--3dp'> <figure class='mdl-card__media' style='background-color: white'> <img src='http://image005.flaticon.com/1/svg/125/125279.svg' style='height: 60px; width: 60px;'> </figure><div class='mdl-card__title'><h1 class='mdl-card__title-text'>Distances scores</h1></div><div class='mdl-card__supporting-text'><table id="dist_table" style="color: rgba(0,0,0,.87);"><tr><td style="padding-right:10px;><b style="white-space: nowrap;"><b>S12Gower-Legendre Distance</b></td><td> The distance measure S12GowLeg = sqrt(1 - s12) is derived from the S12 coefficient of Gower & Legendre defined as s12 = a / sqrt((a + b)(a + c)), with "a" representing the number of positions at which both spectra are in "on-state" and "b" respectively "c" representing the number of positions at which only the query spectrum or the hit spectrum are in "on-state".</td></tr><tr><td style="padding-right:10px;"><b style="white-space: nowrap;">Hamming Distance</b></td><td> In information theory, the Hamming distance between two strings of equal length is the number of positions for which the corresponding symbols are different. Put another way, it measures the minimum number of substitutions required to change one into the other, or the number of errors that transformed one string into the other.</td></tr><tr><td style="padding-right:10px;"><b style="white-space: nowrap;">Jaccard Distance</b></td><td>Number of matches (a mass with appropriate intensity in both spectra) divided by the sum of matches and mismatches (a mass where only one of both spectra has a intensity). The jaccard distance is a binary distance.</td></tr><tr><td style="padding-right:10px;"><b style="white-space: nowrap;padding-right:60px;">Dotproduct Distance</b></td><td>The Dotproduct distance is summing the multiplied intensities over all matching peaks within both spectra. Here, to satisfy the conditions of a metric I) non-negativity, II) identity of indiscernibles, III) symmetry and IV) subadditivity / triangle inequality, we use 1-Dotproduct. Both spectra are normalised prior to the spectral vector norm in that way, that the absolute value of the squared intensities is equal to 1.</td></tr><tr><td style="padding-right:10px;"><b style="white-space: nowrap;padding-right:60px;">Euclidean Distance</b></td><td>The Euclid is the square root of the sum of the squared differences over all matching peaks.</td></tr></table></div></div></div> </br></br></center> </section> </main></div></body></html>
+
+
\ No newline at end of file
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/golm_ws_lib_search.pl	Mon Dec 05 08:32:04 2016 -0500
@@ -0,0 +1,375 @@
+#!perl
+
+## script  : XXX.pl
+#=============================================================================
+#                              Included modules and versions
+#=============================================================================
+## Perl modules
+use strict ;
+use warnings ;
+use Carp qw (cluck croak carp) ;
+
+use Data::Dumper ;
+use Getopt::Long ;
+use FindBin ; ## Allows you to locate the directory of original perl script
+
+## Specific Perl Modules (PFEM)
+use lib $FindBin::Bin ;
+my $binPath = $FindBin::Bin ;
+use JSON ;
+
+## Dedicate Perl Modules PFEM
+use lib::golm_ws_api qw( :ALL ) ;
+use lib::msp qw( :ALL ) ;
+use lib::output qw( :ALL ) ;
+use lib::conf qw( :ALL ) ;
+
+## Initialized values
+my ($OptHelp,$ri,$riWindow,$gcColumn,$inputFile,$inputMasses) = (undef,undef,undef,undef,undef,undef) ;
+my ($maxHits,$mzRes,$maxIons,$threshold,$relative,$noise_threshold) = (undef,undef,undef,undef,undef,undef) ;
+my ($JaccardDistanceThreshold,$s12GowerLegendreDistanceThreshold) = (undef,undef,undef,undef,undef) ;
+my ($DotproductDistanceThreshold,$HammingDistanceThreshold,$EuclideanDistanceThreshold) = (undef,undef,undef) ;
+my ($excel_file,$html_file,$html_template,$json_file,$csv_file) = (undef,undef,undef,undef,undef) ;
+my (@hits, @ojson) = ( () , () ) ;
+my $encoded_spectra ;
+
+## if you put no arguments, function help is started
+if (!@ARGV){ &help ; }
+
+#=============================================================================
+#                                Manage EXCEPTIONS
+#=============================================================================
+&GetOptions (
+				"help|h"     => \$OptHelp,       # HELP
+				"inputFile:s"		=> \$inputFile,
+				"inputMasses:s"		=> \$inputMasses,
+				"ri:i"		=> \$ri,
+				"riWindow:i"		=> \$riWindow,
+				"gcColumn:s"		=> \$gcColumn,
+				"maxHits:i"		=> \$maxHits,
+				"mzRes:i"		=> \$mzRes,
+				"maxIons:i"		=> \$maxIons,
+				#"noiseThreshold:f" => \$noise_threshold,
+				"JaccardDistanceThreshold:f"		=> \$JaccardDistanceThreshold,
+				"s12GowerLegendreDistanceThreshold:f"		=> \$s12GowerLegendreDistanceThreshold,
+				"DotproductDistanceThreshold:f"		=> \$DotproductDistanceThreshold,
+				"HammingDistanceThreshold:f"		=> \$HammingDistanceThreshold,
+				"EuclideanDistanceThreshold:f"		=> \$EuclideanDistanceThreshold,
+				"relative:s"			=> \$relative,
+				"output_xls:s"			=> \$excel_file,
+				"output_html:s"		=> \$html_file,
+				"output_json:s"		=> \$json_file,
+				"output_tabular:s"		=> \$csv_file,
+            ) ;
+
+            die "maxHits must be >= 0\n" unless ($maxHits >= 0) ;
+            die "mzRes must be >= 0 \n" unless ($mzRes >= 0) ;
+            die "maxIons must be >= 0\n" unless ($maxIons >= 0) ;
+            #die "noiseThreshold must be > 0\n" unless ($noise_threshold > 0) ;
+
+## if you put the option -help or -h function help is started
+if(defined($OptHelp)){ &help ; }
+
+if( (!defined ($inputFile)) and (!defined($inputMasses) )){ warn "The input data is not defined (File or mass/intensity list AS string)\n" ; &help ; }
+
+#=============================================================================
+#                                MAIN SCRIPT
+#=============================================================================
+
+## Create module objects ###
+
+my $oapi = lib::golm_ws_api->new() ;
+my $omsp = lib::msp->new() ;
+my $o_output = lib::output->new() ;
+my $oConf = lib::conf->new() ;
+
+
+## -------------- Conf file ------------------------ :
+my ( $CONF ) = ( undef ) ;
+foreach my $conf ( <$binPath/*.cfg> ) {
+	$CONF = $oConf->as_conf($conf) ;
+}
+
+## -------------- HTML template file ------------------------ :
+$html_template = <$binPath/golm_out.tmpl> ;
+$CONF->{'HTML_TEMPLATE'} = $html_template ;
+
+
+## -------------- Retrieve values from conf file ------------------------ :
+my $ws_url = $CONF->{'WS_URL'} ;
+my $ws_proxy = $CONF->{'WS_PROXY'} ;
+my $default_ri = $CONF->{'RI'} ;
+my $default_ri_window = $CONF->{'RI_WINDOW'} ;
+my $default_gc_column = $CONF->{'GC_COLUMN'} ;
+my $default_entries = $CONF->{'DEFAULT_ENTRIES'} ;
+my $analyte_ref = $CONF->{'ANALYTE_REF'} ;
+my $metabolite_ref = $CONF->{'METABOLITE_REF'} ;
+my $spectrum_ref = $CONF->{'SPECTRUM_REF'} ;
+
+############# -------------- Test the Golm web service -------------- ############# :
+
+$oapi->test_query_golm($ws_url, $ws_proxy) ;
+
+############# -------------- Parse the .msp file -------------- ############# :
+
+
+my $ref_mzs_res ;
+my $ref_ints_res ;
+
+## Case when masses are entered manually
+if (defined $inputMasses && !defined $inputFile) {
+
+	## Retrieve masses from msp file
+	$ref_mzs_res = $omsp->get_masses_from_string($inputMasses, $mzRes) ;
+
+	## Retrieve intensities from msp file
+	$ref_ints_res = $omsp->get_intensities_from_string($inputMasses) ;
+
+	## Sorting intensities
+	my ($mzs_res_sorted, $ints_res_sorted) = $omsp->sorting_descending_intensities($ref_mzs_res, $ref_ints_res) ;
+
+	#************************
+	# Noise threshold: uncomment if it is not managed in MetaMS
+	#************************
+
+	## Apply noise threshold
+	#my ($mzs_res_noise_threshold, $ints_res_noise_threshold) = $omsp->keep_ions_above_threshold($mzs_res_sorted, $ints_res_sorted) ;
+
+	#************************
+
+	## Keep a limited number of ions according to $maxIons
+	if($maxIons > 0){
+
+		## To uncomment if "Apply noise threshold is used"
+		#$ref_mzs_res = $omsp->keep_only_max_masses( $mzs_res_noise_threshold, $maxIons ) ;
+		#$ref_ints_res = $omsp->keep_only_max_intensities( $ints_res_noise_threshold, $maxIons ) ;
+
+		## To uncomment if "Apply noise threshold is used"
+		$ref_mzs_res = $omsp->keep_only_max_masses( $mzs_res_sorted, $maxIons ) ;
+		$ref_ints_res = $omsp->keep_only_max_intensities( $ints_res_sorted, $maxIons ) ;
+	}
+
+	## Remove redundant masses
+	my ($uniq_masses , $uniq_intensities) = $omsp->remove_redundants($ref_mzs_res, $ref_ints_res) ;
+
+	## Relative intensity
+	my $relative_ints_res = undef ;
+	if ($relative eq "true") {
+		my @relative_ints = map { ($_ * 100)/@$ints_res_sorted[0] } @$ints_res_sorted ;
+		$relative_ints_res = \@relative_ints ;
+	}
+
+	## Encode spectra
+	if (defined $relative_ints_res) {
+		$encoded_spectra = $omsp->encode_spectrum_for_query($mzs_res_sorted, $relative_ints_res) ;
+	}
+	else { $encoded_spectra = $omsp->encode_spectrum_for_query($mzs_res_sorted, $ints_res_sorted) ; }
+
+}
+## Case with the msp file
+elsif (defined $inputFile and -e $inputFile and !defined $inputMasses and defined $mzRes and defined $maxIons and defined $maxHits) {
+
+	unless (-f $inputFile)  { croak "$inputFile is not a file" ; }
+	unless (-s $inputFile)  { croak "$inputFile is empty" ; }
+
+	## Get masses and their intensities
+	$ref_mzs_res = $omsp->get_mzs($inputFile, $mzRes) ;
+	$ref_ints_res = $omsp->get_intensities($inputFile, $maxIons) ;
+
+	## Sorting intensities
+	my ($mzs_res_sorted, $ints_res_sorted) = $omsp->sorting_descending_intensities($ref_mzs_res, $ref_ints_res) ;
+
+	#************************
+	# Noise threshold: uncomment if it is not managed in MetaMS
+	#************************
+
+	## Apply noise threshold if exists
+	#my ($mzs_res_noise_threshold, $ints_res_noise_threshold) = $omsp->keep_ions_above_threshold($mzs_res_sorted, $ints_res_sorted) ;
+
+	#************************
+
+
+	## Keep only $maxIons ions
+	if($maxIons > 0){
+
+		## To uncomment if "Apply noise threshold is used"
+		#$ref_mzs_res = $omsp->keep_only_max_masses( $mzs_res_noise_threshold, $maxIons ) ;
+		#$ref_ints_res = $omsp->keep_only_max_intensities( $ints_res_noise_threshold, $maxIons ) ;
+
+		## To uncomment if "Apply noise threshold is used"
+		$mzs_res_sorted = $omsp->keep_only_max_masses( $mzs_res_sorted, $maxIons ) ;
+		$ints_res_sorted = $omsp->keep_only_max_intensities( $ints_res_sorted, $maxIons ) ;
+	}
+
+	## Remove redundant masses
+	my ($uniq_masses , $uniq_intensities) = (undef,undef) ;
+	my @uniq_total_masses = () ;
+	my @uniq_total_intensities = () ;
+
+	for (my $i=0 ; $i<@$mzs_res_sorted && $i<@$ints_res_sorted ; $i++) {
+
+		($uniq_masses , $uniq_intensities) = $omsp->remove_redundants(@$mzs_res_sorted[$i], @$ints_res_sorted[$i]) ;
+		push (@uniq_total_masses , $uniq_masses) ;
+		push (@uniq_total_intensities, $uniq_intensities) ;
+	}
+
+	## Relative intensity
+	my $relative_ints_res = undef ;
+	if ($relative eq "true") {
+		$relative_ints_res = $omsp->apply_relative_intensity(\@uniq_total_intensities) ;
+	}
+
+	## Encode spectra
+	if (defined $relative_ints_res) {
+		$encoded_spectra = $omsp->encode_spectrum_for_query(\@uniq_total_masses, $relative_ints_res) ;
+	}
+	else { $encoded_spectra = $omsp->encode_spectrum_for_query(\@uniq_total_masses, \@uniq_total_intensities) ; }
+
+}
+elsif (!defined $maxHits or !defined $maxIons or !defined $mzRes) { croak "Parameters mzRes or maxIons or maxHits are undefined\n"; }
+elsif (!-f $inputFile) 										  	  { croak "$inputFile does not exist" ; }
+
+############# -------------- Send queries to Golm -------------- ############# :
+
+my $limited_hits ;
+foreach my $spectrum (@$encoded_spectra){
+	($limited_hits) = $oapi->LibrarySearch ($ri, $riWindow, $gcColumn, $spectrum, $maxHits, $JaccardDistanceThreshold,
+																										  $s12GowerLegendreDistanceThreshold,
+																										  $DotproductDistanceThreshold,
+																										  $HammingDistanceThreshold,
+																										  $EuclideanDistanceThreshold,
+																										  $ws_url, $ws_proxy,
+																										  $default_ri, $default_ri_window, $default_gc_column) ;
+	push (@hits , $limited_hits) ;
+}
+
+
+############# -------------- Build outputs -------------- ############# :
+
+my $jsons_obj = $o_output->build_json_res_object(\@hits) ;
+#$o_output->write_json_skel(\$json_file, $jsons_obj) ;
+
+# Build the ajax data source for html view
+#my $ajax = $o_output->write_ajax_data_source($jsons_obj) ;
+
+
+my $tbody_entries = $o_output->add_entries_to_tbody_object($jsons_obj,$analyte_ref,$metabolite_ref,$spectrum_ref) ;
+$o_output->write_html_body($jsons_obj, $tbody_entries, $html_file, $html_template, $default_entries, $jsons_obj) ;
+$o_output->excel_like_output($excel_file, $jsons_obj) ;
+$o_output->write_csv($csv_file , $jsons_obj) ;
+
+
+#====================================================================================
+# Help subroutine called with -h option
+# number of arguments : 0
+# Argument(s)        :
+# Return           : 1
+#====================================================================================
+sub help {
+	print STDERR "
+golm_ws_lib_search.pl
+
+# golm_ws_lib_search.pl is a script to use SOAP Golm webservice and send specific queries about spectra searches.
+# Input : a list of masses (m/z) and their intensities.
+# Authors : Gabriel Cretin / Franck Giacomoni / Yann Guitton
+# Emails : franck.giacomoni\@clermont.inra.fr
+#		   gabriel.cretin\@clermont.inra.fr
+#		   yann.guitton\@oniris-nantes.fr
+# Version : 1.2
+# Created : 03/06/2016
+# Updated : 28/11/2016
+USAGE :
+		golm_ws_lib_search.pl -help OR
+
+		golm_ws_lib_search.pl
+			-spectraFile [.msp file]
+			-spectraMasses [masses + intensities of an ion: 'mz1 int1 mz2 int2 mzx intx...']
+			-ri [Rentention Index: float or integer]
+			-riWindow [Retention Index Window: 1500 or the value of your choice]
+			-gcColumn [AlkaneRetentionIndexGcColumnComposition: 'VAR5' or 'MDN35' or 'None']
+			-maxHits [Maximum hits per queried spectra: integer >= 1 (100 for all of them)]
+			-mzRes [Number of digits after the decimal point for m/z values: integer (0 if none)]
+			-maxIons [Number of m/z per spectra you want to keep for the queries, default 0 for all detected ions]
+			-noiseThreshold [Ions having intensity values less than this value are ignored]
+			-JaccardDistanceThreshold...............[
+			-s12GowerLegendreDistanceThreshold......[  Threshold for each score. Hits with greater scores are ignored: 0 (perfect match) < threshlold <= 1 (mismatch) ]
+			-DotproductDistanceThreshold............[
+			-EuclideanDistanceThreshold.............[
+			-HammingDistanceThreshold[Threshold for hamming score. Hits with greater scores are ignored: 0 - perfect match to higher values indicating a mismatch]
+			-relative [Transforms absolute intensities in the msp file into relative intensities: (intensity * 100)/ max(intensitiess), otherwise, leave them absolute: true or false]
+			-output_xls [name of the xls file in output: string]
+			-output_html [name of the html file in output: string]
+			-output_json [name of the json file in output: string]
+			-output_tabular [name of the csv file in output: string]
+
+";
+	exit(1);
+}
+
+## END of script
+
+__END__
+
+=head1 NAME
+
+ golm_ws_lib_search.pl -- script to send GC-MS spectra queries to Golm Metabolome Database (GMD)
+
+=head1 USAGE
+
+ golm_ws_lib_search.pl -help OR
+
+		golm_ws_lib_search.pl
+			-spectraFile [.msp file]
+			-spectraMasses [masses + intensities of an ion: 'mz1 int1 mz2 int2 mzx intx...']
+			-ri [Rentention Index: float or integer]
+			-riWindow [Retention Index Window: 1500 or the value of your choice]
+			-gcColumn [AlkaneRetentionIndexGcColumnComposition: 'VAR5' or 'MDN35' or 'None']
+			-maxHits [Maximum hits per queried spectra: integer >= 1 (100 for all of them)]
+			-mzRes [Number of digits after the decimal point for m/z values: integer (0 if none)]
+			-maxIons [Number of m/z per spectra you want to keep for the queries, default 0 for all detected ions]
+			-noiseThreshold [Ions having intensity values less than this value are ignored]
+			-JaccardDistanceThreshold...............[
+			-s12GowerLegendreDistanceThreshold......[  Threshold for each score. Hits with greater scores are ignored: 0 (perfect match) < threshlold <= 1 (mismatch) ]
+			-DotproductDistanceThreshold............[
+			-EuclideanDistanceThreshold.............[
+			-HammingDistanceThreshold[Threshold for hamming score. Hits with greater scores are ignored: 0 - perfect match to higher values indicating a mismatch]
+			-relative [Transforms absolute intensities in the msp file into relative intensities: (intensity * 100)/ max(intensitiess), otherwise, leave them absolute: true or false]
+			-output_xls [name of the xls file in output: string]
+			-output_html [name of the html file in output: string]
+			-output_json [name of the json file in output: string]
+			-output_tabular [name of the csv file in output: string]
+
+=head1 SYNOPSIS
+
+This script sends GC-MS EI spectra from an msp file given in argument to Golm Database, and presents results on a web interface.
+
+=head1 DESCRIPTION
+
+This main program is a ...
+
+=over 4
+
+=item B<function01>
+
+=item B<function02>
+
+=back
+
+=head1 AUTHOR
+
+Gabriel Cretin	E<lt>gabriel.cretin@clermont.inra.frE<gt>
+Franck Giacomoni E<lt>franck.giacomoni@clermont.inra.frE<gt>
+
+=head1 LICENSE
+
+This program is free software; you can redistribute it and/or modify it under the same terms as Perl itself.
+
+=head1 VERSION
+
+version 1.0 : 03 / 06 / 2016
+
+version 1.1 : 24 / 06 / 2016
+
+version 1.2 : 28 / 11 / 2016
+
+=cut
\ No newline at end of file
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/golm_ws_lib_search.xml	Mon Dec 05 08:32:04 2016 -0500
@@ -0,0 +1,316 @@
+<tool id="golm_ws_lib_search" name="Golm Metabolome Database search spectrum" version="2016-11-28">
+  <description>
+       : GC-MS Mass Spectral Database.
+  </description>
+
+  <!--<requirements>
+      <requirement type="package" version="0.413">perl-list-moreutils</requirement>
+      <requirement type="package" version="1.19">perl-soap-lite</requirement>
+      <requirement type="package" version="0.95">perl-excel-writer-xlsx</requirement>
+      <requirement type="package" version="2.90">perl-json</requirement>
+      <requirement type="package" version="2.95">perl-html-template</requirement>
+  </requirements>-->
+
+  <stdio>
+      <exit_code range="1" level="fatal" />
+  </stdio>
+
+  <command><![CDATA[
+    perl $__tool_directory__/golm_ws_lib_search.pl
+		#if str($input_type.choice) == "YES":
+	    	-inputFile "${input_type.masses}"
+	    	-output_tabular "$GolmOutTab" -output_html "$GolmOutWeb" -output_xls "$GolmOutXlsx"
+	    #else:
+	    	-inputMasses "${input_type.mass}"
+	    	-output_tabular "$GolmOutTab2" -output_html "$GolmOutWeb2" -output_xls "$GolmResXlsx2"
+	    #end if
+	    -ri "$ri"
+		-riWindow "$riWindow"
+		-gcColumn "$columnType"
+	    -mzRes "$mzRes"
+	    -maxHits "$maxHits"
+	    -maxIons "$maxIons"
+		-JaccardDistanceThreshold "$JaccardDistanceThreshold"
+		-s12GowerLegendreDistanceThreshold "$s12GowerLegendreDistanceThreshold"
+		-DotproductDistanceThreshold "$DotproductDistanceThreshold"
+		-HammingDistanceThreshold "$HammingDistanceThreshold"
+		-EuclideanDistanceThreshold "$EuclideanDistanceThreshold"
+		-relative "$intensity_type"
+
+  ]]></command>
+  <inputs>
+  	<conditional name="input_type">
+      <param name="choice" type="select" label="Would you use a file" help="If 'NO' is selected then one or more mass(es) must be entered manually.">
+        <option value="YES">YES</option>
+        <option value="NO">NO</option>
+      </param>
+      <when value="YES">
+      	<param name="masses" label="File of masses (format: msp)" format="msp,txt" type="data" help=".msp output file from metaMS.runGC function, or any msp file." />
+      </when>
+      <when value="NO">
+      	<param name="mass" size="30" area="true" type="text" label="Masses and intensities (entered manually)"  help="For a list of masses + intensities write : mz1 int1 mz2 int2 mzx intx..."/>
+	  </when>
+	</conditional>
+    	<param name="columnType" label="Column" type="select" display="radio" help="5%-phenyl-95%-dimethylpolysiloxane (VAR5), 35%-phenyl-65%-dimethylpolysiloxane (MDN35).">
+          <option value="VAR5">VAR5</option>
+          <option value="MDN35">MDN35</option>
+        </param>
+        <param name="ri" type="integer" value="1898" label="Alkane Retention Index" help="If neither an alkane RIs for VAR5 nor MDN35 is available in your setup, please select 'none' in the input field above!" />
+    	<param name="riWindow" type="integer" value="5" label="Retention Index Window" help="This value is for the library search used only. A larger window size will increase the number of matches.
+      	 At the same time the identification becomes less reliable due to false matching spectra without RI consensus." />
+        <param name="maxHits" type="integer" value="100" label="Maximum Hits" help="Maximum number of hits per queried spectra, default=all (0)." />
+        <param name="mzRes" type="integer" value="0" label="Number of significant decimal" help="Number of significant decimals of your m/z." />
+        <param name="maxIons" type="integer" value="0" label="Maximum number of ions" help="Number of m/z per spectra you want to keep for the queries, default 0 = all of them." />
+    	<param name="JaccardDistanceThreshold" type="float" value="0.9" label="JaccardDistance" help="Number of matches, divided by the sum of matches and mismatches." />
+    	<param name="s12GowerLegendreDistanceThreshold" type="float" value="0.9" label="s12GowerLegendreDistanceThreshold" help="The distance measure S12GowLeg = sqrt(1 - s12) is derived from the S12 coefficient of Gower &amp; Legendre defined as s12 = a / sqrt((a + b)(a + c))." />
+    	<param name="DotproductDistanceThreshold" type="float" value="0.5" label="DotproductDistanceThreshold" help="The Dotproduct distance is summing the multiplied intensities over all matching peaks within both spectra. Here, to satisfy the conditions of a metric I) non-negativity, II) identity of indiscernibles, III) symmetry and IV) subadditivity / triangle inequality, we use 1-Dotproduct. Both spectra are normalised prior to the spectral vector norm in that way, that the absolute value of the squared intensities is equal to 1." />
+    	<param name="HammingDistanceThreshold" type="float" value="500" label="HammingDistanceThreshold" help="In information theory, the Hamming distance between two strings of equal length is the number of positions for which the corresponding symbols are different. Put another way, it measures the minimum number of substitutions required to change one into the other, or the number of errors that transformed one string into the other." />
+    	<param name="EuclideanDistanceThreshold" type="float" value="0.5" label="EuclideanDistanceThreshold" help="The Euclid is the square root of the sum of the squared differences over all matching peaks." />
+    	<param name="intensity_type" label="Type of intensities" type="select" display="radio" help="Would you work with relative or absolute intensities? Example: relative = percentage, absolute = untouched. Relative is preferred">
+          <option value="true">YES</option>
+          <option value="false">NO</option>
+        </param>
+	</inputs>
+
+	<outputs>
+	    <data name="GolmOutTab" label="${input_type.masses.name[:-6]}.GOLM.tabular" format="tabular">
+	    	<filter>input_type['choice'] == "YES"</filter>
+	    </data>
+	    <data name="GolmOutWeb" label="${input_type.masses.name[:-6]}.GOLM_WEB.html" format="html">
+	    	<filter>input_type['choice'] == "YES"</filter>
+	    </data>
+	    <data name="GolmOutXlsx" label="${input_type.masses.name[:-6]}.GOLM.txt" format="tabular">
+	    	<filter>input_type['choice'] == "YES"</filter>
+	    </data>
+	    <data name="GolmOutTab2" label="GOLM.tabular" format="tabular" >
+	    	<filter>input_type['choice'] == "NO"</filter>
+   		</data
+	    <data name="GolmOutWeb2" label="HMDB_WEB.html" format="html">
+	    	<filter>input_type['choice'] == "NO"</filter>
+   		</data
+	    <data name="GolmOutXlsx2" label="HMDB.txt" format="tabular">
+	    	<filter>input_type['choice'] == "NO"</filter>
+   		</data
+	</outputs>
+
+	<tests>
+	  	<test>
+	  		<!--test 1 few results - too restrictive thresholds -->
+	  		<param name="choice" value="YES"/>
+	  		<param name="masses" value="input01_peakspectra_test.msp"/>
+	  		<param name="columnType" value="VAR5"/>
+	  		<param name="ri" value="1898"/>
+	  		<param name="riWindow" value="5"/>
+	  		<param name="maxHits" value="10"/>
+	  		<param name="mzRes" value="0"/>
+	  		<param name="maxIons" value="0"/>
+	  		<param name="JaccardDistanceThreshold" value="0.9"/>
+	  		<param name="s12GowerLegendreDistanceThreshold" value="0.9"/>
+	  		<param name="DotproductDistanceThreshold" value="0.5"/>
+	  		<param name="EuclideanDistanceThreshold" value="0.5"/>
+	  		<param name="HammingDistanceThreshold" value="500"/>
+	  		<param name="intensity_type" value="YES"/>
+	  		<output name="GolmOutXlsx" file="output01.txt"/>
+	  		<output name="GolmOutWeb" file="output01.html"/>
+	  		<output name="GolmOutTab" file="output01.tabular"/>
+	  	</test>
+	  	<test>
+	  		<!--test 2 results - default thresholds -->
+	  		<param name="choice" value="NO"/>
+	  		<param name="mass" value="70 3 71 3 72 16 73 999 74 87 75 78 76 4 77 5 81 1 82 6 83 13 84 4 85 3 86 4 87 5 88 4 89 52 90 4 91 2 97 2 98 1 99 4 100 12 101 16 102 9 103 116 104 11 105 26 106 2 107 1 111 1 112 1 113 4 114 11 115 7 116 5 117 93 118 9 119 8 126 1 127 3 128 3 129 101 130 19 131 25 132 4 133 60 134 8 135 4 140 1 141 1 142 4 143 13 144 2 145 6 146 1 147 276 148 44 149 27 150 3 151 1 156 1 157 70 158 12 159 5 160 148 161 26 162 7 163 8 164 1 168 1 169 2 170 1 172 3 173 4 174 1 175 4 177 4 186 2 187 1 189 28 190 7 191 13 192 2 193 1 201 5 202 1 203 3 204 23 205 162 206 31 207 16 208 2 210 2 214 1 215 2 216 8 217 88 218 18 219 8 220 1 221 6 222 1 229 23 230 6 231 11 232 3 233 4 234 3 235 1 243 1 244 2 245 1 246 2 247 1 256 1 262 3 263 1 269 2 270 1 274 4 275 1 277 4 278 1 291 7 292 2 293 1 300 1 305 4 306 1 307 4 308 1 318 1 319 122 320 37 321 17 322 3 323 1 343 1 364 2 365 1"/>
+	  		<param name="columnType" value="VAR5"/>
+	  		<param name="ri" value="1898"/>
+	  		<param name="riWindow" value="5"/>
+	  		<param name="maxHits" value="10"/>
+	  		<param name="mzRes" value="0"/>
+	  		<param name="maxIons" value="0"/>
+	  		<param name="JaccardDistanceThreshold" value="0.9"/>
+	  		<param name="s12GowerLegendreDistanceThreshold" value="0.9"/>
+	  		<param name="DotproductDistanceThreshold" value="0.5"/>
+	  		<param name="EuclideanDistanceThreshold" value="0.5"/>
+	  		<param name="HammingDistanceThreshold" value="500"/>
+	  		<param name="intensity_type" value="YES"/>
+	  		<output name="GolmOutXlsx2" file="output02.txt"/>
+	  		<output name="GolmOutWeb2" file="output02.html"/>
+	  		<output name="GolmOutTab2" file="output02.tabular"/>
+	  	</test>
+	  	<test>
+	  		<!--test 3 lot of results - restrictive thresholds -->
+	  		<param name="choice" value="YES"/>
+	  		<param name="masses" value="input03_peakspectra_full.msp"/>
+	  		<param name="columnType" value="VAR5"/>
+	  		<param name="ri" value="1898"/>
+	  		<param name="riWindow" value="5"/>
+	  		<param name="maxHits" value="10"/>
+	  		<param name="mzRes" value="0"/>
+	  		<param name="maxIons" value="0"/>
+	  		<param name="JaccardDistanceThreshold" value="0.9"/>
+	  		<param name="s12GowerLegendreDistanceThreshold" value="0.9"/>
+	  		<param name="DotproductDistanceThreshold" value="0.5"/>
+	  		<param name="EuclideanDistanceThreshold" value="0.5"/>
+	  		<param name="HammingDistanceThreshold" value="500"/>
+	  		<param name="intensity_type" value="YES"/>
+	  		<output name="GolmOutXlsx" file="output03.txt"/>
+	  		<output name="GolmOutWeb" file="output03.html"/>
+	  		<output name="GolmOutTab" file="output03.tabular"/>
+	  	</test>
+	  </tests>
+
+	 <help><![CDATA[
+
+.. class:: infomark
+
+**Authors**
+
+  | Gabriel Cretin (for perl and Galaxy), Yann Guitton (for R version and tests) and Franck Giacomoni (for perl and Galaxy)
+
+---------------------------------------------------
+
+.. class:: infomark
+
+**If you use this tool, please cite MassBank**
+
+for `Golm Metabolome Database &lt;http://gmd.mpimp-golm.mpg.de/&gt;`_ :
+  `Hummel, J., Strehmel, N., Selbig, J., Walther, D. and Kopka, J. (2010) Decision tree supported substructure prediction of metabolites from GC-MS profiles, Metabolomics. &lt;http://dx.doi.org/10.1007/s11306-010-0198-7&gt;`_
+
+
+-----------
+Description
+-----------
+
+The Golm Metabolome Database (GMD) facilitates the search for and dissemination of reference mass spectra from biologically active metabolites quantified using gas chromatography (GC) coupled to mass spectrometry (MS).
+This tool intends to facilitate the annotation of masses from GC-MS by searching informations through GMD webservices.
+
+-----------
+Input files
+-----------
+
+	| **Parameter**: inputSpectra
+	| **Format**   : msp
+
+
+A file containing spectra in the msp format.
+Example of a spectra in msp format:
+
+	| Name: Unknown1
+	| DB.idx: -1
+	| rt: 10.58
+	| Class: Unknown
+	| rt.sd: 0.003
+	| Num Peaks: 19
+	| 73.0465  826983.38; 74.0481  70018.08; 75.0319  69475.73; 100.0573  37477.24; 103.0227  43054.28;
+	| 116.0884  1433179.62; 117.0905  151975.23; 118.0869  53105.64; 128.0526  26404.77; 131.0359  22647.44;
+	| 133.0438  22141.56; 147.0666  255488.28; 48.066  49965.66; 149.0551  37762.38; 190.1069  72568.23;
+	| 191.1063  18017.34; 192.1023  6460.8; 207.0333  35435.81; 218.1028  30528.82;
+
+----------
+Parameters
+----------
+
+**Would you use a file**
+
+	| Choose whether the masses are in a file or entered manually
+	| YES (default) : parameters **File of masses (format: msp)** is visible
+	| NO : parameter **Masses of the molecule (entered manually)** is visible
+	| For both, all other parameters are available
+
+
+**Column type**
+
+	| VAR5 means a 5%-phenyl-95%-dimethylpolysiloxane column and MDN35 means a 35%-phenyl-65%-dimethylpolysiloxane column. If you don't know select 'None'.
+
+
+**Alkane Retention Index**
+
+	| If neither an alkane RIs for VAR5 nor MDN35 is available in your setup, please select 'none' in the input field above!
+
+
+**Retention Index Window**
+
+	| This value is for the library search used only. A larger window size will increase the number of matches.
+	| At the same time the identification becomes less reliable due to false matching spectra without RI consensus.
+	| The maximal number of hits returned from the data base is limited due to performance reasons.
+
+
+**Maximum Hits**
+
+	| Maximum number of hits returned by Golm database, default = 0 (which means all of them are taken in account).
+
+
+**Number of significant decimal**
+
+	| Number of significant decimals of your m/z.
+	| Example: m/z = 73.798 if mzRes = 4, m/z becomes 73.7980
+	| 		   m/z = 73.798 if mzRes = 0, m/z becomes 74
+
+
+**Maximum number of ions**
+
+	| Number of m/z and intensities per spectra you want to keep for the queries to Golm, default = 0 = all of them.
+
+
+**JaccardDistanceThreshold**
+
+	| Number of matches (a mass with appropriate intensity in both spectra) divided by the sum of matches and mismatches (a mass where only one of both spectra has a intensity).
+	| The jaccard distance is a binary distance.
+
+
+**s12GowerLegendreDistanceThreshold**
+
+	| The distance measure S12GowLeg = sqrt(1 - s12) is derived from the S12 coefficient of Gower &amp; Legendre defined as s12 = a / sqrt((a + b)(a + c)), with "a" representing the number of positions at which both spectra are in "on-state" and "b" respectively "c" representing the number of positions at which only the query spectrum or the hit spectrum are in "on-state".
+
+
+**DotproductDistanceThreshold**
+
+	| The Dotproduct distance is summing the multiplied intensities over all matching peaks within both spectra. Here, to satisfy the conditions of a metric I) non-negativity, II) identity of indiscernibles, III) symmetry and IV) subadditivity / triangle inequality, we use 1-Dotproduct. Both spectra are normalised prior to the spectral vector norm in that way, that the absolute value of the squared intensities is equal to 1.
+
+
+**HammingDistanceThreshold**
+
+	| In information theory, the Hamming distance between two strings of equal length is the number of positions for which the corresponding symbols are different. Put another way, it measures the minimum number of substitutions required to change one into the other, or the number of errors that transformed one string into the other.
+
+
+**EuclideanDistanceThreshold**
+
+	| The Euclid is the square root of the sum of the squared differences over all matching peaks.
+
+
+**Type of intensities**
+
+	| Use absolute or relative intensities.
+	| Example: relative = percentage (intensity * 100) / max(intensities), absolute = untouched
+
+
+------------
+Output files
+------------
+
+**Tree types of files**
+
+	| GOLM.html  : to view results on a webpage (HTML).
+	| GOLM.xlsx : to get results in a excel like format.
+	| GOLM.tabular    : to get results in tabular format.
+
+---------------------------------------------------
+
+
+---------------
+Working example
+---------------
+
+
+.. class:: warningmark
+
+Refer to the corresponding W4M HowTo section: http://workflow4metabolomics.org/howto
+ | Format Data For Postprocessing
+ | Perform GCMS Annotations
+
+
+ ]]></help>
+
+    <citations>
+        <citation type="doi">10.1093/bioinformatics/btu813</citation>
+    </citations>
+
+</tool>
+
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/lib/conf.pm	Mon Dec 05 08:32:04 2016 -0500
@@ -0,0 +1,259 @@
+package lib::conf ;
+
+use strict;
+use warnings ;
+use Exporter ;
+use Carp ;
+use Data::Dumper ;
+
+use vars qw($VERSION @ISA @EXPORT %EXPORT_TAGS);
+
+our $VERSION = "1.0" ;
+our @ISA = qw(Exporter) ;
+our @EXPORT = qw( as_conf get_value_from_conf check_path_and_file ) ;
+our %EXPORT_TAGS = ( ALL => [qw( as_conf get_value_from_conf )] ) ;
+
+=head1 NAME
+
+conf - A module for manage pfem conf file
+
+=head1 SYNOPSIS
+
+    use conf ;
+    my $object = conf->new() ;
+
+=head1 DESCRIPTION
+
+This module does manage conf file (extract all or selected fields)
+
+=head1 METHODS
+
+Methods are :
+
+=head2 METHOD new
+
+	## Description : new
+	## Input : $self
+	## Ouput : bless $self ;
+	## Usage : new() ;
+
+=cut
+## START of SUB
+sub new {
+    ## Variables
+    my $self={};
+    bless($self) ;
+    return $self ;
+}
+### END of SUB
+
+=head2 METHOD as_conf
+
+	## Description : permet de creer l'object conf a partir d'un fichier de conf de type KEY=VALUE
+	## Input : $file
+	## Ouput : $oConf (a hash)
+	## Usage : my ( $oConf ) = as_conf( $file ) ;
+
+=cut
+## START of SUB
+sub as_conf {
+	## Retrieve Values
+    my $self = shift ;
+    my ( $file, $separator ) = @_ ;
+
+#    if (!defined $separator) { $separator = ';' } ## set separator to ;
+
+    if ( !defined $file )  {  croak "Can't create object with an none defined file\n" ; }
+
+    my %Conf = () ; ## Hash devant contenir l'ensemble des parametres locaux
+
+	if (-e $file) {
+		open (CFG, "<$file") or die "Can't open $file\n" ;
+		while (<CFG>) {
+			chomp $_ ;
+			if ( $_ =~ /^#(.*)/)  {	next ; }
+			elsif ($_ =~/^(\w+?)=(.*)/) { ## ALPHANUMERIC OR UNDERSCORE ONLY FOR THE KEY AND ANYTHING ELSE FOR VALUE
+
+				my ($key, $value) = ($1, $2) ;
+
+				if (defined $separator) {
+					if ( $value=~/$separator/ ) { ## is a list to split
+						my @tmp = split(/$separator/ , $value) ;
+						$Conf{$key} = \@tmp ;
+					}
+				}
+				else {
+					$Conf{$key} = $value ;
+				}
+			}
+		}
+		close(CFG) ;
+	}
+	else {
+		croak "Can't create object with an none existing file\n" ;
+	}
+
+    return ( \%Conf ) ;
+}
+## END of SUB
+
+=head2 METHOD as_conf_list
+
+	## Description : permet de charger une liste txt en array
+	## Input : $file
+	## Output : elements
+	## Usage : my ( elements ) = as_conf_list( $conf_file ) ;
+
+=cut
+## START of SUB
+sub as_conf_list {
+	## Retrieve Values
+    my $self = shift ;
+    my ( $file ) = @_ ;
+
+    my @elements = () ;
+    if ( !defined $file )  {  croak "Can't create object with an none defined file\n" ; }
+
+    if (-e $file) {
+		open (CFG, "<$file") or die "Can't open $file\n" ;
+		while (<CFG>) {
+			chomp $_ ;
+			if ( $_ =~ /^#(.*)/)  {	next ; }
+			elsif ($_ =~/^(.*)/) { if (defined $1) { push (@elements, $1) ; } 	}
+		}
+    }
+    else {
+		croak "Can't create object with an none existing file\n" ;
+	}
+    return(\@elements) ;
+}
+## END of SUB
+
+=head2 METHOD get_value_from_conf
+
+	## Description : permet de retourner une valeur du hash de conf a partir d'une key
+	## Input : $oConf, $Key
+	## Ouput : $Value
+	## Usage : my ( $Value ) = get_value_from_conf( $oConf, $Key ) ;
+
+=cut
+## START of SUB
+sub get_value_from_conf {
+	## Retrieve Values
+    my $self = shift ;
+    my ( $oConf, $Key ) = @_ ;
+
+    my $Value = undef ;
+
+    if ( defined $oConf ) {
+    	if ( defined $oConf->{$Key} ) {
+    		$Value = $oConf->{$Key} ;
+    	}
+    }
+    else {
+    	croak "Can't manage value with undefined object\n" ;
+    }
+    return($Value) ;
+}
+## END of SUB
+
+=head2 METHOD get_value_from_conf
+
+	## Description : permet de retourner une valeur du hash de conf a partir d'une key
+	## Input : $oConf, $Key
+	## Ouput : $Value
+	## Usage : my ( $Value ) = get_value_from_conf( $oConf, $Key ) ;
+
+=cut
+## START of SUB
+sub split_value_from_conf {
+	## Retrieve Values
+    my $self = shift ;
+    my ( $oConf, $Key, $sep ) = @_ ;
+
+    my $value = undef ;
+    my @values = () ;
+
+    if ( defined $oConf ) {
+    	if ( defined $oConf->{$Key} ) {
+    		$value = $oConf->{$Key} ;
+    		@values = split ( /$sep/, $value) ;
+    	}
+    }
+    else {
+    	croak "Can't manage value with undefined object\n" ;
+    }
+    return(\@values) ;
+}
+## END of SUB
+
+
+=head2 METHOD check_path_and_file
+
+	## Description : permet de verifier les path et la presence des exe decrits dans le file conf. Bloque le script en cas de probleme
+	## Input : $oConfs
+	## Ouput : NA
+	## Usage : &get_value_from_conf( $oConf ) ;
+
+=cut
+## START of SUB
+sub check_path_and_file {
+
+	my $self = shift ;
+	my ( $oConfs ) = @_ ;
+
+	foreach my $conf ( keys %{ $oConfs } ) {
+		if ( $conf =~ /^FILE/ ) {
+			if ( -e $oConfs->{$conf} ) {
+				if ( -s $oConfs->{$conf} ) { next ; }
+				else { carp "[Warning] : The size of file $oConfs->{$conf} is null\n" ; }
+			}
+			else {
+					carp "[Warning] : The file $oConfs->{$conf} doesn't exist\n" ;
+			}
+		}
+		elsif ( $conf =~ /^PATH/ ) {
+			if ( -d $oConfs->{$conf} ) { next ; }
+			else { carp "[Warning] :  The dir $oConfs->{$conf} doesn't exist\n" ;	}
+		}
+		else { 	next ; 	}
+	}
+	return ;
+}
+## END of SUB
+
+1 ;
+
+
+__END__
+
+=head1 SUPPORT
+
+You can find documentation for this module with the perldoc command.
+
+ perldoc conf.pm
+
+
+=head1 Exports
+
+=over 4
+
+=item :ALL is as_conf get_value_from_conf
+
+=back
+
+=head1 AUTHOR
+
+Franck Giacomoni E<lt>franck.giacomoni@clermont.inra.frE<gt>
+
+=head1 LICENSE
+
+This program is free software; you can redistribute it and/or modify it under the same terms as Perl itself.
+
+=head1 VERSION
+
+version 1 : 10 / 02 / 2013
+
+version 2 : ??
+
+=cut
\ No newline at end of file
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/lib/golm_ws_api.pm	Mon Dec 05 08:32:04 2016 -0500
@@ -0,0 +1,338 @@
+package lib::golm_ws_api ;
+
+use strict;
+use warnings ;
+use Exporter ;
+use Carp ;
+
+use Data::Dumper ;
+#use SOAP::Lite +trace => [qw (debug)];
+use SOAP::Lite ;
+use JSON ;
+
+use vars qw($VERSION @ISA @EXPORT %EXPORT_TAGS);
+
+our $VERSION = "1.0";
+our @ISA = qw(Exporter);
+our @EXPORT = qw( connectWSlibrarySearchGolm LibrarySearch test_query_golm filter_scores_golm_results filter_replica_results);
+our %EXPORT_TAGS = ( ALL => [qw( connectWSlibrarySearchGolm LibrarySearch test_query_golm filter_scores_golm_results filter_replica_results)] );
+
+=head1 NAME
+
+My::Module - An example module
+
+=head1 SYNOPSIS
+
+    use My::Module;
+    my $object = My::Module->new();
+    print $object->as_string;
+
+=head1 DESCRIPTION
+
+This module does not really exist, it
+was made for the sole purpose of
+demonstrating how POD works.
+
+=head1 METHODS
+
+Methods are :
+
+=head2 METHOD new
+
+	## Description : new
+	## Input : $self
+	## Ouput : bless $self ;
+	## Usage : new() ;
+
+=cut
+
+sub new {
+    ## Variables
+    my $self={};
+    bless($self) ;
+    return $self ;
+}
+### END of SUB
+
+=head2 METHOD connectWSlibrarySearchGolm
+
+	## Description : create a soap object throught the webservice LibrarySearch of Golm.
+	## Input : $ws_url, $ws_proxy
+	## Ouput : $soap ;
+	## Usage : my $soap = connectWSlibrarySearchGolm($ws_url, $ws_proxy) ;
+
+=cut
+
+sub connectWSlibrarySearchGolm() {
+	## Retrieve Values
+    my $self = shift ;
+    my ($ws_url, $ws_proxy) = @_ ;
+
+	my $osoap = SOAP::Lite
+		-> soapversion('1.2')
+		-> envprefix('soap12')
+		-> readable(1)
+		-> uri( $ws_url )
+		-> proxy( $ws_proxy."/" )
+		-> on_fault(sub { my($soap, $res) = @_;
+         eval { die ref $res ? $res->faultstring : $soap->transport->status, "\n"};
+         return ref $res ? $res : new SOAP::SOM ;
+         });
+
+	return ($osoap);
+}
+### END of SUB
+
+
+
+
+
+=head2 METHOD test_query_golm
+
+	## Description : send a test request (default given on ws website) to golm database.
+	## Input : $ws_url, $ws_proxy
+	## Ouput : $soap ;
+	## Usage : my $soap = test_query_golm($ws_url, $ws_proxy) ;
+
+=cut
+
+sub test_query_golm() {
+	## Retrieve Values
+    my $self = shift ;
+    my ($ws_url, $ws_proxy) = @_ ;
+
+	my $soap = SOAP::Lite
+              -> uri($ws_url)
+              -> on_action( sub { join '/', $ws_proxy, $_[1] } )
+              -> proxy($ws_proxy, timeout => 500);
+
+           # Setting Content-Type myself
+           my $http_request = $soap
+              ->{'_transport'}
+              ->{'_proxy'}
+              ->{'_http_request'};
+           $http_request->content_type("text/xml; charset=utf-8");
+
+            my $method = SOAP::Data->name('LibrarySearch')
+                ->attr({xmlns => $ws_proxy."/"});
+
+            my @params = (
+                           SOAP::Data->name('ri' => 1898),
+                           SOAP::Data->name('riWindow' => 5),
+                           SOAP::Data->name('AlkaneRetentionIndexGcColumnComposition' => 'VAR5'),
+                           SOAP::Data->name('spectrum' => "70 3 71 3 72 16 73 999 74 87 75 78 76 4 77 5 81 1 82 6 83 13 84 4 85 3 86 4 87 5 88 4 89 52 90 4 91 2 97 2 98 1 99 4 100 12 101 16 102 9 103 116 104 11 105 26 106 2 107 1 111 1 112 1 113 4 114 11 115 7 116 5 117 93 118 9 119 8 126 1 127 3 128 3 129 101 130 19 131 25 132 4 133 60 134 8 135 4 140 1 141 1 142 4 143 13 144 2 145 6 146 1 147 276 148 44 149 27 150 3 151 1 156 1 157 70 158 12 159 5 160 148 161 26 162 7 163 8 164 1 168 1 169 2 170 1 172 3 173 4 174 1 175 4 177 4 186 2 187 1 189 28 190 7 191 13 192 2 193 1 201 5 202 1 203 3 204 23 205 162 206 31 207 16 208 2 210 2 214 1 215 2 216 8 217 88 218 18 219 8 220 1 221 6 222 1 229 23 230 6 231 11 232 3 233 4 234 3 235 1 243 1 244 2 245 1 246 2 247 1 256 1 262 3 263 1 269 2 270 1 274 4 275 1 277 4 278 1 291 7 292 2 293 1 300 1 305 4 306 1 307 4 308 1 318 1 319 122 320 37 321 17 322 3 323 1 343 1 364 2 365 1" ) );
+
+			my $som = $soap->call($method => @params);
+			die $som->faultstring if ($som->fault);
+
+			## Get the hits + status of the query
+			my $results = $som->result->{Results} ;
+			my $status = $som->result->{Status} ;
+
+			if ($status eq 'success' && $results ne '') {
+				print "\n\n\nThe test request succeeded - Golm Service available.\n\n\n" ;
+				return 1 ;
+			}
+			else { croak "\n\n\nSomething went wrong with the test request. Status delivered by Golm = ".$status."\n\n" ; }
+}
+### END of SUB
+
+
+
+=head2 METHOD LibrarySearch
+
+	## Description : Matches a single user submitted GC-EI mass spectrum against the Golm Metabolome Database (GMD).
+	## 				 A limited amount of hits can be kept according to the maxHits value and after them being filtered by $filter value
+	## Input : $osoap, $ri, $riWindow, $gcColumn, $spectrum, $maxHits
+	## Ouput : \@limited_hits, \@json_res
+	## Usage : ($limited_hits,$json_res) = LibrarySearch($osoap, $ri, $riWindow, $gcColumn, $spectrum, $maxHits) ;
+
+=cut
+
+sub LibrarySearch() {
+	## Retrieve Values
+	my $self = shift ;
+	my ($ri, $riWindow, $gcColumn, $spectrum, $maxHits,$JaccardDistanceThreshold,$s12GowerLegendreDistanceThreshold,$DotproductDistanceThreshold,
+		$HammingDistanceThreshold,$EuclideanDistanceThreshold, $ws_url, $ws_proxy, $default_ri, $default_ri_window, $default_gc_column) = @_ ;
+
+	#init in case :
+	$ri = $default_ri if ( !defined $ri ) ;
+	$riWindow = $default_ri_window if ( !defined $riWindow ) ;
+	$gcColumn = $default_gc_column if ( !defined $gcColumn ) ;
+
+
+	my $result ;
+	my @filtered_limited_res = () ;
+	my @json_res ;
+
+	if ( defined $spectrum ){
+
+    	if ( $spectrum ne '' ) {
+
+		   my $soap = SOAP::Lite
+              -> uri($ws_url)
+              -> on_action( sub { join '/', $ws_proxy, $_[1] } )
+              -> proxy($ws_proxy);
+
+           # Setting Content-Type myself
+           my $http_request = $soap
+              ->{'_transport'}
+              ->{'_proxy'}
+              ->{'_http_request'};
+           $http_request->content_type("text/xml; charset=utf-8");
+
+            my $method = SOAP::Data->name('LibrarySearch')
+                ->attr({xmlns => $ws_proxy."/"});
+
+            my @params = (
+                           SOAP::Data->name('ri' => $ri),
+                           SOAP::Data->name('riWindow' => $riWindow),
+                           SOAP::Data->name('AlkaneRetentionIndexGcColumnComposition' => $gcColumn),
+                           SOAP::Data->name('spectrum' => $spectrum) ) ;
+
+			my $som = $soap->call($method => @params);
+			die $som->faultstring if ($som->fault);
+
+			## Get the hits + status of the query
+			my $results = $som->result->{Results} ;
+			my $status = $som->result->{Status} ;
+
+            ## Limitate number of hits returned according to user's $maxHit
+            ## and filter hits on specific values with thresholds
+            my @results = @$results ;
+
+            ### Return all hits
+            my $oapi = lib::golm_ws_api->new() ;
+            if ($maxHits == 100 && $status eq 'success') {
+
+            	my $filtered_res = $oapi->filter_scores_golm_results(\@results,$JaccardDistanceThreshold,$s12GowerLegendreDistanceThreshold,
+																		$DotproductDistanceThreshold,$HammingDistanceThreshold,$EuclideanDistanceThreshold) ;
+
+            	if(!@$filtered_res){ push (@$filtered_res , "no results") ; }
+
+            	return ($filtered_res) ;
+            }
+            elsif ($maxHits < 100 && $maxHits > 0 && $status eq 'success'){
+
+            	my $filtered_res_before_hits_limited = $oapi->filter_scores_golm_results(\@results,$JaccardDistanceThreshold,$s12GowerLegendreDistanceThreshold,
+																		$DotproductDistanceThreshold,$HammingDistanceThreshold,$EuclideanDistanceThreshold) ;
+            	if (@$filtered_res_before_hits_limited) {
+
+	            	for (my $i=0 ; $i<$maxHits ; $i++) {
+
+		            	push (@filtered_limited_res , @$filtered_res_before_hits_limited[$i]) ;
+	            	}
+            	}
+            	else {
+
+	            	if(!@$filtered_res_before_hits_limited){ push (@filtered_limited_res , "no results") ; }
+            	}
+            	return (\@filtered_limited_res) ;
+            }
+            else { carp "No match returned from Golm for the query.\n" }
+        }
+    	else { carp "The spectrum for query is empty, Golm soap will stop.\n" ; }
+    }
+    else { carp "The spectrum for query is undef, Golm soap will stop.\n" ; }
+
+	return \@filtered_limited_res ;
+}
+### END of SUB
+
+
+
+
+=head2 METHOD filter_scores_golm_results
+	## Description : filter golm's hits by distance scores
+	## Input : $results,$JaccardDistanceThreshold,$s12GowerLegendreDistanceThreshold,
+	##		   $DotproductDistanceThreshold,$HammingDistanceThreshold,$EuclideanDistanceThreshold
+	## Ouput : \@filtered_res ;
+	## Usage : my ($filtered_res) = filter_scores_golm_results($results,$JaccardDistanceThreshold,$s12GowerLegendreDistanceThreshold,
+	##															$DotproductDistanceThreshold,$HammingDistanceThreshold,$EuclideanDistanceThreshold) ;
+
+=cut
+
+sub filter_scores_golm_results() {
+	## Retrieve Values
+	my $self = shift ;
+	my ($results,$JaccardDistanceThreshold,$s12GowerLegendreDistanceThreshold,
+		$DotproductDistanceThreshold,$HammingDistanceThreshold,$EuclideanDistanceThreshold) = @_ ;
+
+	my @results = @$results ;
+	my @filtered_res = () ;
+
+	foreach my $res (@results){
+
+			if ($res->{'JaccardDistance'} <= $JaccardDistanceThreshold && $res->{'s12GowerLegendreDistance'} <= $s12GowerLegendreDistanceThreshold
+				&& $res->{'DotproductDistance' } <= $DotproductDistanceThreshold && $res->{'HammingDistance'} <= $HammingDistanceThreshold &&
+				$res->{'EuclideanDistance' } <= $EuclideanDistanceThreshold) {
+
+				push (@filtered_res , $res) ;
+			}
+	}
+
+	my $oapi = lib::golm_ws_api->new() ;
+	my $sorted_analytes = $oapi->filter_replica_results(\@filtered_res) ;
+
+	return $sorted_analytes ;
+}
+
+
+
+=head2 METHOD _filter_replica_results
+     ## Description : remove replicated hits, keep the ones with the lowest dot product distance
+     ## Input : $results
+     ## Ouput : \@clean_res ;
+     ## Usage : my ($clean_res) = filter_replica_results($results) ;
+
+=cut
+
+sub filter_replica_results() {
+     ## Retrieve Values
+     my $self = shift ;
+     my ($results) = @_ ;
+	 my %seen ;
+	 my @sortAnalytes = grep { !$seen{$_->{'analyteName'}}++ } sort { $a->{'DotproductDistance'} <=> $b->{'DotproductDistance'} } @$results ;
+
+     return \@sortAnalytes ;
+}
+
+
+
+
+
+1 ;
+
+
+__END__
+
+=head1 SUPPORT
+
+You can find documentation for this module with the perldoc command.
+
+ perldoc golm_ws_api.pm
+
+=head1 Exports
+
+=over 4
+
+=item :ALL is connectWSlibrarySearchGolm LibrarySearch test_query_golm filter_scores_golm_results filter_replica_results
+
+=back
+
+=head1 AUTHOR
+
+Franck Giacomoni E<lt>franck.giacomoni@clermont.inra.frE<gt>
+Gabriel Cretin E<lt>gabriel.cretin@clermont.inra.frE<gt>
+
+=head1 LICENSE
+
+This program is free software; you can redistribute it and/or modify it under the same terms as Perl itself.
+
+=head1 VERSION
+
+version 1 : 03 / 06 / 2016
+
+version 2 : 24 / 06 / 2016
+
+=cut
\ No newline at end of file
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/lib/msp.pm	Mon Dec 05 08:32:04 2016 -0500
@@ -0,0 +1,642 @@
+package lib::msp ;
+
+use strict;
+use warnings ;
+use Exporter ;
+use Carp ;
+
+use Data::Dumper ;
+use List::MoreUtils qw(uniq);
+
+use vars qw($VERSION @ISA @EXPORT %EXPORT_TAGS);
+
+our $VERSION = "1.0";
+our @ISA = qw(Exporter);
+our @EXPORT = qw( get_mzs get_intensities get_masses_from_string get_intensities_from_string keep_only_max_masses keep_only_max_intensities encode_spectrum_for_query sorting_descending_intensities round_num apply_relative_intensity remove_redundants);
+our %EXPORT_TAGS = ( ALL => [qw( get_mzs get_intensities get_masses_from_string get_intensities_from_string keep_only_max_masses keep_only_max_intensities encode_spectrum_for_query sorting_descending_intensities round_num apply_relative_intensity remove_redundants)] );
+
+=head1 NAME
+
+My::Module - An example module
+
+=head1 SYNOPSIS
+
+    use My::Module;
+    my $object = My::Module->new();
+    print $object->as_string;
+
+=head1 DESCRIPTION
+
+This module does not really exist, it
+was made for the sole purpose of
+demonstrating how POD works.
+
+=head1 METHODS
+
+Methods are :
+
+=head2 METHOD new
+
+	## Description : new
+	## Input : $self
+	## Ouput : bless $self ;
+	## Usage : new() ;
+
+=cut
+
+sub new {
+    ## Variables
+    my $self={};
+    bless($self) ;
+    return $self ;
+}
+### END of SUB
+
+
+
+=head2 METHOD get_mzs
+
+	## Description : parse msp file and get mzs
+	## Input : $msp_file, $mzRes, $maxIon
+	## Output : \@total_spectra_mzs
+	## Usage : my ( $mzs ) = get_mzs( $msp_file , $mzRes, $maxIon) ;
+	## Structure of res: [ $arr_ref1 , $arr_ref2 ... $arr_refN ]
+=cut
+## START of SUB
+sub get_mzs {
+	## Retrieve Values
+    my $self = shift ;
+    my ( $msp_file, $mzRes ) = @_ ;
+
+  	my @ions = () ;
+  	my @temp_mzs = () ;
+  	my @uniq_masses ;
+  	my @mzs = ();
+  	my @total_spectra_mzs = ();
+  	my $mz ;
+  	my $i = 0 ;
+
+    open (MSP , "<" , $msp_file) or die $! ;
+
+	{
+		local $/ = 'Name' ;
+	    my @infos = () ;
+	    # One line is : "Name -> Name" englobing a whole spectrum with all infos
+	    while(my $line = <MSP>) {
+
+	    	chomp $line;
+	    	@infos = split (/\n/ , $line) ;
+	    	# Loop over all lines of a spectrum
+	    	for (my $i=0 ; $i<@infos ; $i++) {
+	    		# Detect spectrum lines only
+		    	if ($infos[$i] =~ /(\d+\.?\d*)\s+(\d+\.?\d*)\s*;\s*/) {
+
+		    		@ions = split ( /;/ , $infos[$i] ) ;
+		    		# Retrieve mzs according to maxIons value
+		    		foreach my $ion (@ions) {
+
+		    			if ($ion =~ /^\s*(\d+\.?\d*)\s+(\d+\.?\d*)$/) {
+
+		    				$mz = $1 ;
+		    				# Truncate/round mzs depending on $mzRes wanted
+		    				if ($mzRes == 0) {
+		    					my $mz_rounded = sprintf("%.".$mzRes."f", $mz) ;
+		    					push (@temp_mzs , $mz_rounded) ;
+		    				}
+		    				# Check that $mzRes is not greater than the number of digits after comma
+		    				elsif ($mzRes > 0) {
+		    					if ($mz !~ /^\d+\.\d+$/) { croak "*********\n\nYou are trying to specify $mzRes significant decimals, but one or more masses in the input file are unitary masses.\nYou should try again with mzRes = 0\n\n\n"; }
+		    					elsif($mzRes > length(( $mz =~ /.+\.(.*)/)[0] )) {
+		    						$mz = sprintf("%.".$mzRes."f" , $mz) ;
+		    					}
+		    					my $mz_rounded = _round_num($mz,$mzRes) ;
+		    					push (@temp_mzs , $$mz_rounded) ;
+		    				}
+		    			}
+		    		}
+		    	}
+	    	}
+	    	if($line ne '') {
+		    	@{ $total_spectra_mzs[$i] } = @temp_mzs ;
+			    $i++ ;
+			    @temp_mzs = () ;
+	    	}
+	    }
+    }
+    #print Dumper \@total_spectra_mzs ;
+    close (MSP) ;
+    return(\@total_spectra_mzs) ;
+}
+## END of SUB
+
+
+
+
+=head2 METHOD get_intensities
+
+	## Description : parse msp file and get intensities
+	## Input : $msp_file, $maxIons
+	## Output : \@total_spectra_intensities
+	## Usage : my ( $intensities ) = get_mzs( $msp_file, $maxIons ) ;
+	## Structure of res: [ $arr_ref1 , $arr_ref2 ... $arr_refN ]
+=cut
+## START of SUB
+sub get_intensities {
+	## Retrieve Values
+    my $self = shift ;
+    my ( $msp_file ) = @_ ;
+
+  	my @ions = () ;
+  	my @temp_intensities = () ;
+  	my @intensities = () ;
+  	my @total_spectra_intensities = ();
+  	my $i = 0 ;
+
+    open (MSP , "<" , $msp_file) or die $! ;
+
+    {
+		local $/ = 'Name' ;
+	    my @infos = () ;
+	    # Extract spectrum
+	    while(my $line = <MSP>) {
+	    	chomp $line;
+	    	@infos = split (/\n/ , $line) ;
+	    	#Detect spectrum
+	    	for (my $i=0 ; $i<@infos ; $i++) {
+		    	if ($infos[$i] =~ /(\d+\.?\d*)\s+(\d+\.?\d*)\s*;\s*?/) {
+		    		@ions = split ( /;/ , $infos[$i] ) ;
+		    		# Retrieve intensities
+		    		foreach my $ion (@ions) {
+		    			if ($ion =~ /^\s*(\d+\.?\d*)\s+(\d+\.?\d*)$/) {
+    						my $intensity = $2 ;
+    						push ( @temp_intensities , $intensity ) ;
+		    			}
+		    		}
+		    	}
+	    	}
+	    	if($line ne '') {
+		    	@{ $total_spectra_intensities[$i] } = @temp_intensities ;
+			    $i++ ;
+			    @temp_intensities = () ;
+	    	}
+	    }
+    }
+    close (MSP) ;
+    return(\@total_spectra_intensities) ;
+}
+## END of SUB
+
+
+=head2 METHOD get_masses_from_string
+
+	## Description : parse a spectrum string and get mzs and intensities
+	## Input : $spectrum_string, $mzRes
+	## Output : \@spectrum_intensities_mzs
+	## Usage : my ( $spectrum_mzs ) = get_masses_from_string( $spectrum_string , $mzRes ) ;
+=cut
+## START of SUB
+sub get_masses_from_string {
+	## Retrieve Values
+    my $self = shift ;
+    my ( $spectrum_string, $mzRes ) = @_ ;
+
+    my @intensities = () ;
+    my @mzs = () ;
+
+    if (defined $spectrum_string) {
+
+    	if ($spectrum_string ne '') {
+
+    		if ($spectrum_string =~ /\s*(\d+\.?\d*)\s+(\d+\.?\d*)\s*/ ) {
+
+	    		my @val = split (/\s+/ , $spectrum_string) ;
+	    		for (my $i=0 ; $i<@val ; $i++) {
+	    			if ($i%2 == 0) {
+	    				my $mz = $val[$i] ;
+	    				# Truncate/round mzs depending on $mzRes wanted
+	    				if ($mzRes == 0) {
+	    					$mz = int($mz) ;
+	    					push ( @mzs , $val[$i] ) ;
+	    				}
+	    				# Check that $mzRes is not greater than the number of digits after comma
+	    				elsif ($mzRes > 0) {
+	    					if($mzRes > length(( $mz =~ /.+\.(.*)/)[0] )) {
+	    						$mz = sprintf("%.".$mzRes."f" , $mz) ;
+	    					}
+	    					my $mz_rounded = _round_num($mz,$mzRes) ;
+	    					push ( @mzs , $$mz_rounded ) ;
+	    				}
+	    			}
+	    		}
+	    		return (\@mzs) ;
+    		}
+    		else { croak "Wrong format of the spectrum. See help\n" }
+    	}
+    	else { croak "Spectrum is empty, the service will stop\n" } ;
+    }
+    else { croak "Spectrum is not defined, service will stop\n" } ;
+}
+## END of SUB
+
+
+
+=head2 METHOD get_intensities_from_string
+
+	## Description : parse a spectrum string and get intensities
+	## Input : $spectrum_string
+	## Output : \@spectrum_intensities
+	## Usage : my ( $spectrum_intensities ) = get_intensities_from_string( $spectrum_string ) ;
+=cut
+## START of SUB
+sub get_intensities_from_string {
+	## Retrieve Values
+    my $self = shift ;
+    my ( $spectrum_string ) = @_ ;
+
+    my @intensities = () ;
+    my @mzs = () ;
+
+    if (defined $spectrum_string) {
+
+    	if ($spectrum_string ne '') {
+
+    		if ($spectrum_string =~ /\s*(\d+\.?\d*)\s+(\d+\.?\d*)\s*/ ) {
+
+	    		my @val = split (/\s+/ , $spectrum_string) ;
+	    		for (my $i=0 ; $i<@val ; $i++) {
+	    			if ($i%2 != 0) {
+	    				my $int = $val[$i] ;
+	    				push ( @intensities , $int ) ;
+	    			}
+	    		}
+	    		return (\@intensities) ;
+    		}
+    		else { croak "Wrong format of the spectrum. See help\n" }
+    	}
+    	else { croak "Spectrum is empty, the service will stop\n" } ;
+    }
+    else { croak "Spectrum is not defined, service will stop\n" } ;
+}
+## END of SUB
+
+
+
+
+
+=head2 METHOD sorting_descending_intensities
+
+	## Description : sort mzs and intensities arrays by descending intensity values
+	## Input : $ref_mzs_res, $ref_ints_res
+	## Output : \@mzs_res, \@ints_res
+	## Usage : my ( \@mzs_res, \@ints_res ) = sorting_descending_intensities( $ref_mzs_res, $ref_ints_res ) ;
+=cut
+## START of SUB
+sub sorting_descending_intensities {
+	## Retrieve Values
+    my $self = shift ;
+    my ( $ref_mzs_res, $ref_ints_res ) = @_ ;
+
+    my @mzs_res = () ;
+    my @ints_res = () ;
+
+    if ( defined $ref_mzs_res && defined $ref_ints_res ) {
+    	if ( (scalar @$ref_mzs_res) != 0 && (scalar @$ref_ints_res) != 0 ) {
+
+		    @mzs_res = @$ref_mzs_res ;
+			@ints_res = @$ref_ints_res ;
+
+			# Case when we have only one array of masses (input is a string of masses and not a file)
+		    if ( ref(@$ref_ints_res[0]) ne "ARRAY") {
+
+		    	my @sorted_indices = sort { $ints_res[$b] <=> $ints_res[$a] } 0..$#ints_res;
+				@$_ = @{$_}[@sorted_indices] for \(@mzs_res, @ints_res);
+
+		    }
+			else {
+				## Sorting ions by decreasing intensity values
+				for (my $i=0 ; $i<@ints_res ; $i++) {
+					my @sorted_indices = sort { @{$ints_res[$i]}[$b] <=> @{$ints_res[$i]}[$a] } 0..$#{$ints_res[$i]};
+					@$_ = @{$_}[@sorted_indices] for \(@{$ints_res[$i]},@{$mzs_res[$i]});
+				}
+			}
+    	}
+    	else { carp "Cannot sort intensities, mzs or intensities are empty" ; return (\@mzs_res, \@ints_res) ; }
+    }
+    else { carp "Cannot sort intensities, mzs or intensities are undef" ; return (\@mzs_res, \@ints_res) ; }
+
+	return (\@mzs_res, \@ints_res) ;
+}
+## END of SUB
+
+
+
+
+=head2 METHOD keep_only_max_masses
+
+	## Description : keep only $maxIons masses
+	## Input : $mzs_res_sorted, $maxIons
+	## Output : \@mzs
+	## Usage : my ( $mzs ) = keep_only_max_masses( $mzs_res_sorted, $ints_res_sorted, $maxIons ) ;
+=cut
+## START of SUB
+sub keep_only_max_masses {
+	## Retrieve Values
+    my $self = shift ;
+    my ( $ref_mzs_res, $maxIons ) = @_ ;
+
+    my @mzs = () ;
+    my @tot_mzs = () ;
+
+    if ( ref(@$ref_mzs_res[0]) ne "ARRAY") {
+    	my $i = 0 ;
+    	while (scalar @tot_mzs < $maxIons && $i < @$ref_mzs_res){
+	    	push (@tot_mzs , $$ref_mzs_res[$i++]) ;
+    	}
+    }
+    else {
+	    for (my $i=0 ; $i<@$ref_mzs_res ; $i++) {
+		  	my $j = 0 ;
+		    while (scalar @mzs < $maxIons && $j < @$ref_mzs_res[$i]){
+		    	push (@mzs , $ref_mzs_res->[$i][$j++]) ;
+	    	}
+	    	push (@tot_mzs , \@mzs) ;
+	    }
+    }
+	return (\@tot_mzs) ;
+}
+## END of SUB
+
+
+
+
+=head2 METHOD keep_only_max_intensities
+
+	## Description : keep only $maxIons intensities
+	## Input : $ints_res_sorted, $maxIons
+	## Output : \@ints
+	## Usage : my ( $ints ) = keep_only_max_intensities( $ints_res_sorted, $maxIons ) ;
+=cut
+## START of SUB
+sub keep_only_max_intensities {
+	## Retrieve Values
+    my $self = shift ;
+    my ( $ref_ints_res, $maxIons ) = @_ ;
+
+    my @ints = () ;
+    my @tot_ints = () ;
+	if ( ref(@$ref_ints_res[0]) ne "ARRAY") {
+    	my $i = 0 ;
+    	while (scalar @tot_ints < $maxIons && $i < @$ref_ints_res){
+	    	push (@tot_ints , $$ref_ints_res[$i++]) ;
+    	}
+    }
+    else {
+    	for (my $i=0 ; $i<@$ref_ints_res ; $i++) {
+	    	my $j = 0 ;
+	    	while (scalar @ints < $maxIons && $j < @$ref_ints_res[$i]){
+	    		push (@ints , $ref_ints_res->[$i][$j++]) ;
+	    	}
+	    	push (@tot_ints , \@ints) ;
+    	}
+    }
+	return (\@tot_ints) ;
+}
+## END of SUB
+
+
+
+
+
+=head2 METHOD encode_spectrum_for_query
+
+	## Description : get mzs and intensities values and generate the spectra strings formatted for the WS query (html)
+	## Input : $mzs, $intensities
+	## Output : \@encoded_spectra
+	## Usage : my ( $encoded_spectra ) = get_spectra( $mzs, $intensities ) ;
+
+=cut
+## START of SUB
+sub encode_spectrum_for_query {
+	## Retrieve Values
+    my $self = shift ;
+    my ( $mzs, $intensities ) = @_ ;
+
+    my @encoded_spectra = () ;
+    my $spectrum = "" ;
+    my $k = 0 ;
+
+    #print Dumper $mzs ;
+
+    if ( defined $mzs && defined $intensities ) {
+    	if ( @$mzs && @$intensities ) {
+
+    		# Case when we have only one array of masses (input is a string of masses and not a file)
+		    if ( ref(@$mzs[0]) ne "ARRAY") {
+    			for (my $i=0 ; $i< @$mzs ; $i++) {
+    				$spectrum = $spectrum . @$mzs[$i] . " " . @$intensities[$i] . " ";
+    			}
+			    push ( @encoded_spectra , $spectrum ) ;
+		    }
+		    else {
+			    for (my $i=0 ; $i< @$mzs ; $i++) {
+
+			    	for ( my $j=0 ; $j< @{ @$mzs[$i] } ; $j++ ) {
+
+			    		$spectrum = $spectrum . $$mzs[$i][$j] . " " . $$intensities[$i][$j] . " ";
+			    	}
+			    	$encoded_spectra[$k] = $spectrum ;
+			    	$k++ ;
+			    	$spectrum = '' ;
+			    }
+		    }
+    	}
+    	else { carp "Cannot encode spectrum, mzs and intensities arrays are empty" ; return \@encoded_spectra ; }
+    }
+    else { carp "Cannot encode spectrum, mzs and intensities are undef" ; return \@encoded_spectra ; }
+    return \@encoded_spectra ;
+}
+## END of SUB
+
+
+=head2 METHOD round_num
+
+	## Description : round a number by the sended decimal
+	## Input : $number, $decimal
+	## Output : $round_num
+	## Usage : my ( $round_num ) = round_num( $number, $decimal ) ;
+
+=cut
+## START of SUB
+sub _round_num {
+    ## Retrieve Values
+    my ( $number, $decimal ) = @_ ;
+    my $round_num = 0 ;
+
+	if ( ( defined $decimal ) and ( $decimal > 0 ) and ( defined $number ) and ( $number > 0 ) ) {
+        $round_num = sprintf("%.".$decimal."f", $number);	## a rounding is used : 5.3 -> 5 and 5.5 -> 6
+	}
+	else {
+		croak "Can't round any number : missing value or decimal\n" ;
+	}
+
+    return(\$round_num) ;
+}
+## END of SUB
+
+
+
+=head2 METHOD apply_relative_intensity
+
+	## Description : transform absolute intensities into relative intensities
+	## Input : $intensities
+	## Output : \@intensities
+	## Usage : my ( $intensities ) = apply_relative_intensity( $intensities ) ;
+
+=cut
+## START of SUB
+sub apply_relative_intensity {
+	## Retrieve Values
+	my $self = shift ;
+    my ($intensities) = @_ ;
+
+    my @intensities = @$intensities ;
+    my @relative_intensities ;
+
+    foreach my $ints (@intensities) {
+    		my @relative_ints = map { ($_ * 100)/@$ints[0] } @$ints ;
+    		push (@relative_intensities , \@relative_ints) ;
+    }
+    return \@relative_intensities ;
+}
+## END of SUB
+
+
+
+=head2 METHOD remove_redundants
+
+	## Description : removes ions with redundant masses
+	## Input : $masses $intensities
+	## Output : \@intensities
+	## Usage : my ( $uniq_masses, $uniq_intensities ) = remove_redundants( $masses, $intensities ) ;
+
+=cut
+## START of SUB
+sub remove_redundants {
+	## Retrieve Values
+	my $self = shift ;
+    my ($masses, $intensities) = @_ ;
+
+    my %uniq = () ;
+    my @uniq_intensities = () ;
+
+    ## Create hash with key = mass and value = intensity
+    for (my $i=0 ; $i<@$masses ; $i++) {
+    	$uniq{ @$masses[$i] } = @$intensities[$i] ;
+    }
+
+    ## Remove redundant masses
+    my @uniq_masses = uniq(@$masses) ;
+
+    ## Keep intensities corresponding to uniq masses
+	foreach my $mass (@uniq_masses) {
+	    push (@uniq_intensities , $uniq{ $mass }) ;
+	}
+
+	return (\@uniq_masses , \@uniq_intensities) ;
+
+}
+## END of SUB
+
+
+#********************************************************************************************************
+#	FONCTION DU SEUIL POUR LE BRUIT, A DECOMMENTER SI FINALEMENT CE N'EST PAS GERE DANS LA BRIQUE MetaMS
+#********************************************************************************************************
+
+
+=head2 METHOD keep_ions_above_threshold
+
+	## Description : keep only ions which intensities are above the threshold
+	## Input : $mzs_res_sorted, $ints_res_sorted, $noiseThreshold
+	## Output : $mzs_res_noise_threshold, $ints_res_noise_threshold
+	## Usage : my ( $mzs_res_noise_threshold, $ints_res_noise_threshold ) = keep_ions_above_threshold( $mzs_res_sorted, $ints_res_sorted, $noiseThreshold ) ;
+
+=cut
+## START of SUB
+#sub keep_ions_above_threshold {
+#	## Retrieve Values
+#	my $self = shift ;
+#    my ($mzs_res_sorted, $ints_res_sorted, $noiseThreshold) = @_ ;
+#
+#    my (@mzs_res_noise_threshold, @ints_res_noise_threshold) = ( (),() ) ;
+#    my (@mzs_res_noise_threshold_temp, @ints_res_noise_threshold_temp) = ( (),() ) ;
+#    my $i = 0 ;
+#    my $j = 0 ;
+#    # Case when we have only one array of masses (input is a string of masses and not a file)
+#    if ( ref(@$mzs_res_sorted[0]) ne "ARRAY") {
+#
+#		while( @$ints_res_sorted[$i] > $noiseThreshold && $i < scalar @$mzs_res_sorted) {
+#
+#	    	push ( @mzs_res_noise_threshold , @$mzs_res_sorted[$i] ) ;
+#	    	push ( @ints_res_noise_threshold , @$ints_res_sorted[$i] ) ;
+#	    	$i++ ;
+#	    }
+#	}
+#    else {
+#    	while( $i < @$ints_res_sorted ) {
+#
+#    		while( $$ints_res_sorted[$i][$j] > $noiseThreshold && $j < scalar @$ints_res_sorted[$i]) {
+#
+#    			push ( @mzs_res_noise_threshold_temp , $$mzs_res_sorted[$i][$j] ) ;
+#		    	push ( @ints_res_noise_threshold_temp , $$ints_res_sorted[$i][$j] ) ;
+#		    	$j++ ;
+#    		}
+#    		push ( @mzs_res_noise_threshold , \@mzs_res_noise_threshold_temp ) ;
+#		    push ( @ints_res_noise_threshold , \@ints_res_noise_threshold_temp ) ;
+#    		$i++ ;
+#    	}
+#	}
+#
+#	return (\@mzs_res_noise_threshold, \@ints_res_noise_threshold) ;
+#}
+## END of SUB
+
+
+#********************************************************************************************************
+#********************************************************************************************************
+#********************************************************************************************************
+
+
+1 ;
+
+
+__END__
+
+=head1 SUPPORT
+
+You can find documentation for this module with the perldoc command.
+
+ perldoc csv.pm
+
+=head1 Exports
+
+=over 4
+
+=item :ALL is get_spectra
+
+=back
+
+=head1 AUTHOR
+
+Gabriel Cretin E<lt>gabriel.cretin@clermont.inra.frE<gt>
+
+=head1 LICENSE
+
+This program is free software; you can redistribute it and/or modify it under the same terms as Perl itself.
+
+=head1 VERSION
+
+version 1 : 03 / 06 / 2016
+
+version 2 : 24 / 06 / 2016
+
+=cut
\ No newline at end of file
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/lib/output.pm	Mon Dec 05 08:32:04 2016 -0500
@@ -0,0 +1,536 @@
+package lib::output ;
+
+use strict;
+use warnings ;
+use Exporter ;
+use Carp ;
+use HTML::Template ;
+use JSON ;
+
+use FindBin ;
+use lib $FindBin::Bin ;
+my $binPath = $FindBin::Bin ;
+
+use Data::Dumper ;
+
+use vars qw($VERSION @ISA @EXPORT %EXPORT_TAGS);
+
+our $VERSION = "1.0";
+our @ISA = qw(Exporter);
+our @EXPORT = qw(build_json_res_object excel_output write_html_body add_entries_to_tbody_object write_json_skel write_ajax_data_source excel_like_output);
+our %EXPORT_TAGS = ( ALL => [qw(build_json_res_object excel_output write_html_body add_entries_to_tbody_object write_json_skel write_ajax_data_source excel_like_output)] );
+
+=head1 NAME
+My::Module - An example module
+
+=head1 SYNOPSIS
+
+    use My::Module;
+    my $object = My::Module->new();
+    print $object->as_string;
+
+=head1 DESCRIPTION
+
+This module does not really exist, it
+was made for the sole purpose of
+demonstrating how POD works.
+
+=head1 METHODS
+
+Methods are :
+
+=head2 METHOD new
+
+	## Description : new
+	## Input : $self
+	## Ouput : bless $self ;
+	## Usage : new() ;
+
+=cut
+
+sub new {
+    ## Variables
+    my $self={};
+    bless($self) ;
+    return $self ;
+}
+### END of SUB
+
+
+
+=head2 METHOD build_json_res_object
+
+	## Description : build json from array of hits
+	## Input : $results
+	## Output : \@json_results
+	## Usage : my ( \@json_results ) = build_json_res_object( $results ) ;
+	## JSON structure: [
+#							{
+#								'id' : 'int',
+#								'nb_hits' : int,
+#								'searchResults'	:	[
+#														{
+#															'metaboliteID' : GUID
+#															'distance_scores' : {
+#																					'EuclideanDistance' : float
+#																					'DotproductDistance' : int
+#																					'HammingDistance' : int
+#																					'JaccardDistance' : int
+#																					's12GowerLegendreDistance' : int
+#																				}
+#															'ri_infos' : {
+#																			'ri' : float
+#																			'riDiscrepancy' : float
+#																		 }
+#															'analyte' : {
+#																			'id' : GUID
+#																			'name' : string
+#																		 }
+#															'spectrum' : {
+#																			'id' : GUID
+#																			'name' : string
+#																		 }
+#														},
+#														.
+#														.
+#														.
+#													]
+#							}
+#							.
+#							.
+#							.
+#						]
+=cut
+## START of SUB
+sub build_json_res_object {
+	## Retrieve Values
+    my $self = shift ;
+    my ( $results ) = @_ ;
+
+	my @json_results ;
+	my @array_results = @$results ;
+
+	my $nb_hits = 0 ;
+	my $i = 0 ;
+	my $spectrumID = 1 ;
+
+
+
+	## Loop on each spectra
+	foreach my $res (@array_results) {
+
+		if (@$res[0] eq 'no results'){
+
+			my %hit_infos = () ;
+
+			$json_results[$i]{'id'} = $spectrumID++ ;
+			$json_results[$i]{'nb_hits'} = $nb_hits ;
+			$hit_infos{'metaboliteID'} = "" ;
+			$hit_infos{'distance_scores'}{'EuclideanDistance'} = "" ;
+			$hit_infos{'distance_scores'}{'DotproductDistance'} = "" ;
+			$hit_infos{'distance_scores'}{'HammingDistance'} = "" ;
+			$hit_infos{'distance_scores'}{'JaccardDistance'} = "" ;
+			$hit_infos{'distance_scores'}{'s12GowerLegendreDistance'} = "" ;
+			$hit_infos{'ri_infos'}{'ri'} = "" ;
+			$hit_infos{'ri_infos'}{'riDiscrepancy'} = "" ;
+			$hit_infos{'analyte'}{'id'} = "" ;
+			$hit_infos{'analyte'}{'name'} = "" ;
+			$hit_infos{'spectrum'}{'id'} = "" ;
+			$hit_infos{'spectrum'}{'name'} = "no results" ;
+
+			push ( @{ $json_results[$i]{'searchResults'} } , \%hit_infos );
+		}
+		else {
+
+			$nb_hits = scalar @$res;
+
+			$json_results[$i]{'id'} = $spectrumID++ ;
+			$json_results[$i]{'nb_hits'} = $nb_hits ;
+
+			## Loop on each hit of a spectrum + build json
+			foreach my $href (@$res) {
+
+				if (!defined $href){
+
+					last ;
+				}
+				else {
+					my %hash_res = %$href ;
+					my %hit_infos = () ;
+					# Get rid of false results
+					if ($hash_res{'metaboliteID'} eq '00000000-0000-0000-0000-000000000000') {
+						--$json_results[$i]{'nb_hits'} ;
+					}
+					else {
+						$hit_infos{'metaboliteID'} = $hash_res{'metaboliteID'} ;
+						$hit_infos{'distance_scores'}{'EuclideanDistance'} = $hash_res{'EuclideanDistance'} ;
+						$hit_infos{'distance_scores'}{'DotproductDistance'} = $hash_res{'DotproductDistance'} ;
+						$hit_infos{'distance_scores'}{'HammingDistance'} = $hash_res{'HammingDistance'} ;
+						$hit_infos{'distance_scores'}{'JaccardDistance'} = $hash_res{'JaccardDistance'} ;
+						$hit_infos{'distance_scores'}{'s12GowerLegendreDistance'} = $hash_res{'s12GowerLegendreDistance'} ;
+						$hit_infos{'ri_infos'}{'ri'} = $hash_res{'ri'} ;
+						$hit_infos{'ri_infos'}{'riDiscrepancy'} = $hash_res{'riDiscrepancy'} ;
+						$hit_infos{'analyte'}{'id'} = $hash_res{'analyteID'} ;
+						$hit_infos{'analyte'}{'name'} = $hash_res{'analyteName'} ;
+						$hit_infos{'spectrum'}{'id'} = $hash_res{'spectrumID'} ;
+						$hit_infos{'spectrum'}{'name'} = $hash_res{'spectrumName'} ;
+
+						push ( @{ $json_results[$i]{'searchResults'} } , \%hit_infos );
+					}
+				}
+			}
+		}
+		$i++ ;
+	}
+    return \@json_results ;
+}
+## END of SUB
+
+
+
+=head2 METHOD add_entries_to_tbody_object
+
+	## Description : initialize and build the entries object needed by HTML::Template
+	## Input : $results
+	## Output : \@tbody_entries
+	## Usage : my ( $tbody_entries ) = add_entries_to_tbody_object( $results ) ;
+=cut
+## START of SUB
+sub add_entries_to_tbody_object {
+	## Retrieve Values
+    my $self = shift ;
+    my ( $results ) = @_ ;
+
+    my @tbody_entries = () ;
+
+		foreach my $href_grp (@$results) {
+
+				foreach my $hit ( @{$href_grp->{'searchResults'}} ){
+					my %grp_res = () ;
+
+					## Add hyperlinks
+					if ( $hit->{'spectrum'}{'name'} ne 'no results') {
+						%grp_res = (
+							ID => $href_grp->{id} ,
+							ANALYTE_NAME => $hit->{analyte}{name} ,
+							SPECTRUM_NAME => $hit->{spectrum}{name} ,
+							RI => $hit->{ri_infos}{ri} ,
+							RI_DISCREPANCY => $hit->{ri_infos}{riDiscrepancy} ,
+							DOT_PRODUCT_DISTANCE => $hit->{distance_scores}{DotproductDistance} ,
+							EUCLIDEAN_DISTANCE => $hit->{distance_scores}{EuclideanDistance} ,
+							JACCARD_DISTANCE => $hit->{distance_scores}{JaccardDistance} ,
+							HAMMING_DISTANCE => $hit->{distance_scores}{HammingDistance} ,
+							S12_GOWER_LEGENDRE_DISTANCE => $hit->{distance_scores}{s12GowerLegendreDistance} ,
+							SPECTRUM_ID => $hit->{spectrum}{id} ,
+							METABOLITE_ID => $hit->{metaboliteID} ,
+							ANALYTE_ID => $hit->{analyte}{id},
+							ANALYTE_REF => 'http://gmd.mpimp-golm.mpg.de/Analytes/'.$hit->{analyte}{id}.'.aspx',
+							SPECTRUM_REF => 'http://gmd.mpimp-golm.mpg.de/Spectrums/'.$hit->{spectrum}{id}.'.aspx',
+							METABOLITE_REF => 'http://gmd.mpimp-golm.mpg.de/Metabolites/'.$hit->{metaboliteID}.'.aspx',
+						) ;
+					}
+					else {
+						%grp_res = (
+							ID => $href_grp->{id} ,
+							ANALYTE_NAME => $hit->{analyte}{name} ,
+							SPECTRUM_NAME => $hit->{spectrum}{name} ,
+							RI => $hit->{ri_infos}{ri} ,
+							RI_DISCREPANCY => $hit->{ri_infos}{riDiscrepancy} ,
+							DOT_PRODUCT_DISTANCE => $hit->{distance_scores}{DotproductDistance} ,
+							EUCLIDEAN_DISTANCE => $hit->{distance_scores}{EuclideanDistance} ,
+							JACCARD_DISTANCE => $hit->{distance_scores}{JaccardDistance} ,
+							HAMMING_DISTANCE => $hit->{distance_scores}{HammingDistance} ,
+							S12_GOWER_LEGENDRE_DISTANCE => $hit->{distance_scores}{s12GowerLegendreDistance} ,
+							SPECTRUM_ID => $hit->{spectrum}{id} ,
+							METABOLITE_ID => $hit->{metaboliteID} ,
+							ANALYTE_ID => $hit->{analyte}{id},
+							ANALYTE_REF => 'http://gmd.mpimp-golm.mpg.de/',
+							SPECTRUM_REF => 'http://gmd.mpimp-golm.mpg.de/',
+							METABOLITE_REF => 'http://gmd.mpimp-golm.mpg.de/',
+						) ;
+					}
+					push (@tbody_entries , \%grp_res) ;
+				}
+		}
+	return \@tbody_entries ;
+}
+## END of SUB
+
+
+
+
+
+
+=head2 METHOD write_html_body
+
+	## Description : Write the html output file
+	## Input : $results, $tbody_entries, $html_file, $html_template
+	## Output :  $html_file
+	## Usage : $o_output->write_html_body( $results, $tbody_entries, $html_file, $html_template ) ;
+=cut
+## START of SUB
+sub write_html_body {
+	## Retrieve Values
+    my $self = shift ;
+    my ( $results, $tbody_entries, $html_file_name, $html_template, $default_entries, $jsons_obj ) = @_ ;
+
+    if (defined $html_file_name){
+
+	    	open (HTML, '>', $html_file_name) or die "Failed to open filehandle: $!" ;
+
+		    if (-e $html_template) {
+
+		    	my $ohtml = HTML::Template->new(filename => $html_template) ;
+#		    	$ohtml->param( DATA => $jsons_obj ) ;
+				$ohtml->param( GROUPS => $tbody_entries ) ;
+		    	$ohtml->param( DEFAULT_ENTRIES => $default_entries ) ;
+		    	print HTML $ohtml->output ;
+		    }
+	    	else {
+				croak "Problem about your html template: no html template available\n" ;
+			}
+			close (HTML) ;
+    }
+    else {
+    	croak "Problem with the html output file: $html_file_name is not defined\n" ;
+    }
+}
+## END of SUB
+
+
+
+=head2 METHOD excel_output
+
+	## Description : create an excel XLS output of the results
+	## Input : $jsons, $excel_file
+	## Output :  excel file
+	## Usage : $o_output->excel_output( $jsons, $excel_file ) ;
+=cut
+## START of SUB
+#sub excel_output {
+#	## Retrieve Values
+#    my $self = shift ;
+#    my ( $excel_file, $jsons ) = @_ ;
+#
+#    # Create a new workbook and add a worksheet
+#    my $workbook  = Excel::Writer::XLSX->new( $excel_file ) ;
+#    my $worksheet = $workbook->add_worksheet() ;
+#
+#    my $i = 0 ;
+#
+#    # Create a format for the headings
+#    my $format = $workbook->add_format() ;
+#    $format->set_bold() ;
+#
+#   $worksheet->write( $i, 0, "Num Spectre" , $format);
+#	$worksheet->write( $i, 1, "Analyte Name" , $format);
+#	$worksheet->write( $i, 2, "Spectrum Name" , $format);
+#	$worksheet->write( $i, 3, "Retention Index" , $format);
+#	$worksheet->write( $i, 4, "RI Discrepancy" , $format);
+#	$worksheet->write( $i, 5, "DotproductDistance" , $format);
+#	$worksheet->write( $i, 6, "EuclideanDistance" , $format);
+#	$worksheet->write( $i, 7, "JaccardDistance" , $format);
+#	$worksheet->write( $i, 8, "HammingDistance" , $format);
+#	$worksheet->write( $i, 9, "s12GowerLegendreDistance" , $format);
+#	$worksheet->write( $i, 10, "Spectrum ID" , $format);
+#	$worksheet->write( $i, 11, "Metabolite ID" , $format);
+#   $worksheet->write( $i, 12, "Analyte ID" , $format);
+#   $i++;
+#
+#   foreach my $href_grp (@$jsons) {
+#
+#			foreach my $hit ( @{$href_grp->{'searchResults'}} ){
+#
+#					$worksheet->write( $i, 0, $href_grp->{id} );
+#			   		$worksheet->write( $i, 1, $hit->{analyte}{name} );
+#			   		$worksheet->write( $i, 2, $hit->{spectrum}{name} );
+#			   		$worksheet->write( $i, 3, $hit->{ri_infos}{ri} );
+#			   		$worksheet->write( $i, 4, $hit->{ri_infos}{riDiscrepancy} );
+#			   		$worksheet->write( $i, 5, $hit->{distance_scores}{DotproductDistance} );
+#			   		$worksheet->write( $i, 6, $hit->{distance_scores}{EuclideanDistance} );
+#			   		$worksheet->write( $i, 7, $hit->{distance_scores}{JaccardDistance} );
+#			   		$worksheet->write( $i, 8, $hit->{distance_scores}{HammingDistance} );
+#			   		$worksheet->write( $i, 9, $hit->{distance_scores}{s12GowerLegendreDistance} );
+#			   		$worksheet->write( $i, 10, $hit->{spectrum}{id} );
+#			   		$worksheet->write( $i, 11, $hit->{metaboliteID} );
+#			   		$worksheet->write( $i, 12, $hit->{analyte}{id});
+#			   		$i++;
+#			}
+#	}
+#
+#   $workbook->close();
+#}
+## END of SUB
+
+
+
+
+=head2 METHOD excel_like_output
+
+	## Description : create an excel like output of the results
+	## Input : $jsons, $excel_file
+	## Output :  excel file
+	## Usage : $o_output->excel_like_output( $jsons, $excel_file ) ;
+=cut
+## START of SUB
+sub excel_like_output {
+	## Retrieve Values
+    my $self = shift ;
+    my ( $excel_file, $jsons ) = @_ ;
+
+	open (OUT , ">" , $excel_file) or die "Error at opening file $excel_file" ;
+
+	print OUT "Num Spectre\tAnalyte Name\tSpectrum Name\tRetention Index\tRI Discrepancy\tDotproductDistance\tEuclideanDistance\tJaccardDistance\tHammingDistance\ts12GowerLegendreDistance\tSpectrum ID\tMetabolite ID\tAnalyte ID\n" ;
+
+	foreach my $href_grp (@$jsons) {
+
+			foreach my $hit ( @{$href_grp->{'searchResults'}} ){
+
+					print OUT "$href_grp->{id}\t$hit->{analyte}{name}\t$hit->{spectrum}{name}\t$hit->{ri_infos}{ri}\t$hit->{ri_infos}{riDiscrepancy}\t$hit->{distance_scores}{DotproductDistance}\t$hit->{distance_scores}{EuclideanDistance}\t$hit->{distance_scores}{JaccardDistance}\t$hit->{distance_scores}{HammingDistance}\t$hit->{distance_scores}{s12GowerLegendreDistance}\t$hit->{spectrum}{id}\t$hit->{metaboliteID}\t$hit->{analyte}{id}\n";
+			}
+	}
+	close (OUT) ;
+
+}
+## END of SUB
+
+
+=head2 METHOD write_json_skel
+
+	## Description : prepare and write json output file
+	## Input : $json_file, $scalar
+	## Output : json file
+	## Usage : $o_output->write_json_skel( $csv_file, $scalar ) ;
+
+=cut
+## START of SUB
+sub write_json_skel {
+	## Retrieve Values
+    my $self = shift ;
+    my ( $json_file, $json_obj ) = @_ ;
+
+    my $utf8_encoded_json_text = encode_json $json_obj ;
+    open(JSON, '>:utf8', $$json_file) or die "Can't create the file $$json_file\n" ;
+    print JSON $utf8_encoded_json_text ;
+    close(JSON) ;
+
+}
+## END of SUB
+
+
+
+=head2 METHOD write_csv
+
+	## Description : write csv output file
+	## Input : $xlsx_file, $csv_file
+	## Output : csv file
+	## Usage : $o_output->write_csv( $xlsx_file, $csv_file ) ;
+
+=cut
+## START of SUB
+sub write_csv {
+	## Retrieve Values
+    my $self = shift ;
+    my ( $csv_file, $jsons ) = @_ ;
+
+    open (CSV , ">" , $csv_file) or die "Can't create the file $csv_file\n" ;
+
+    print CSV "\"Num Spectre\"\t\"Analyte Name\"\t\"Spectrum Name\"\t\"Retention Index\"\t\"RI Discrepancy\"\t\"DotproductDistance\"\t\"EuclideanDistance\"\t\"JaccardDistance\"\t\"HammingDistance\"\t\"s12GowerLegendreDistance\"\t\"Spectrum ID\"\t\"Metabolite ID\"\t\"Analyte ID\"\n" ;
+
+    foreach my $href_grp (@$jsons) {
+
+			foreach my $hit ( @{$href_grp->{'searchResults'}} ){
+
+					print CSV "\"$href_grp->{id}\"\t\"$hit->{analyte}{name}\"\t\"$hit->{spectrum}{name}\"\t\"$hit->{ri_infos}{ri}\"\t\"$hit->{ri_infos}{riDiscrepancy}\"\t\"$hit->{distance_scores}{DotproductDistance}\"\t\"$hit->{distance_scores}{EuclideanDistance}\"\t\"$hit->{distance_scores}{JaccardDistance}\"\t\"$hit->{distance_scores}{HammingDistance}\"\t\"$hit->{distance_scores}{s12GowerLegendreDistance}\"\t\"$hit->{spectrum}{id}\"\t\"$hit->{metaboliteID}\"\t\"$hit->{analyte}{id}\"\n" ;
+			}
+	}
+    close(CSV) ;
+
+}
+## END of SUB
+
+
+
+
+=head2 METHOD write_ajax_data_source
+
+	## Description : write csv output file
+	## Input : $jsons_obj
+	## Output :
+	## Usage : $o_output->write_ajax_data_source( $jsons_obj ) ;
+
+=cut
+## START of SUB
+sub write_ajax_data_source {
+	## Retrieve Values
+    my $self = shift ;
+    my ( $jsons_obj ) = @_ ;
+
+	my %ajax = () ;
+	my $i = 0 ;
+
+	#open (AJAX,">ajax.txt") or die "ERROR at opening file" ;
+
+	foreach my $href_grp (@$jsons_obj) {
+
+				foreach my $hit ( @{$href_grp->{'searchResults'}} ){
+
+					push (@{$ajax{ 'data' }[$i]} , $href_grp->{id}) ;
+					push (@{$ajax{ 'data' }[$i]} , $hit->{spectrum}{name}) ;
+					push (@{$ajax{ 'data' }[$i]} , $hit->{analyte}{name}) ;
+					push (@{$ajax{ 'data' }[$i]} , $hit->{ri_infos}{ri}) ;
+					push (@{$ajax{ 'data' }[$i]} , $hit->{ri_infos}{riDiscrepancy}) ;
+					push (@{$ajax{ 'data' }[$i]} , $hit->{distance_scores}{DotproductDistance}) ;
+					push (@{$ajax{ 'data' }[$i]} , $hit->{distance_scores}{EuclideanDistance}) ;
+					push (@{$ajax{ 'data' }[$i]} , $hit->{distance_scores}{JaccardDistance}) ;
+					push (@{$ajax{ 'data' }[$i]} , $hit->{distance_scores}{HammingDistance}) ;
+					push (@{$ajax{ 'data' }[$i]} , $hit->{distance_scores}{s12GowerLegendreDistance}) ;
+					push (@{$ajax{ 'data' }[$i]} , $hit->{spectrum}{id}) ;
+					push (@{$ajax{ 'data' }[$i]} , $hit->{metaboliteID}) ;
+					push (@{$ajax{ 'data' }[$i]} , $hit->{analyte}{ID}) ;
+					$i++ ;
+				}
+		}
+
+	my $ajax = encode_json \%ajax ;
+	return $ajax ;
+	#print AJAX $ajax ;
+
+}
+#END of SUB
+
+
+
+1 ;
+
+
+__END__
+
+=head1 SUPPORT
+
+You can find documentation for this module with the perldoc command.
+
+ perldoc csv.pm
+
+=head1 Exports
+
+=over 4
+
+=item :ALL is get_spectra
+
+=back
+
+=head1 AUTHOR
+
+Gabriel Cretin E<lt>gabriel.cretin@clermont.inra.frE<gt>
+Franck Giacomoni E<lt>franck.giacomoni@clermont.inra.frE<gt>
+
+=head1 LICENSE
+
+This program is free software; you can redistribute it and/or modify it under the same terms as Perl itself.
+
+=head1 VERSION
+
+version 1 : ??
+
+=cut
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/planemo_test.sh	Mon Dec 05 08:32:04 2016 -0500
@@ -0,0 +1,3 @@
+planemo conda_init --conda_prefix /tmp/mc/
+planemo conda_install --conda_prefix /tmp/mc/ .
+planemo test --install_galaxy --conda_dependency_resolution --conda_prefix /tmp/mc/ --no_cleanup
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/t/data/inputSpectra_unit_test.msp	Mon Dec 05 08:32:04 2016 -0500
@@ -0,0 +1,10 @@
+Name: Unknown 1
+DB.idx: -1
+rt: 10.58
+Class: Unknown
+rt.sd: 0.003
+Num Peaks: 19
+73.0465  826983.38; 74.0481  70018.08; 75.0319  69475.73; 100.0573  37477.24; 103.0227  43054.28;
+116.0884  1433179.62; 117.0905  151975.23; 118.0869  53105.64; 128.0526  26404.77; 131.0359  22647.44;
+133.0438  22141.56; 147.0666  255488.28; 48.066  49965.66; 149.0551  37762.38; 190.1069  72568.23;
+191.1063  18017.34; 192.1023  6460.8; 207.0333  35435.81; 218.1028  30528.82;
\ No newline at end of file
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/t/data/peakspectra_test.msp	Mon Dec 05 08:32:04 2016 -0500
@@ -0,0 +1,45 @@
+Name: Unknown 1
+DB.idx: -9
+rt: 24.53
+Class: Unknown
+rt.sd: 0.01
+Num Peaks: 19
+ 73.0465  57.7027030289;    74.0481  4.8855062564;    75.0319  4.847663826;    100.0573  2.6149715972;   103.0227 3.004109143;
+ 116.0884 100;   117.0905 10.6040602224;   118.0869 3.7054420297;   128.0526 1.8423908372;   131.0359 1.5802234196;
+ 133.0438 1.5449256807;   147.0666 17.8266754868;   148.066 3.4863501617;   149.0551 2.6348672192;   190.1069 5.0634427805;
+ 191.1063 1.257158541;   192.1023 0.4508018332;   207.0333 2.4725309728;   218.1028 2.1301461153;
+
+Name: Histidine
+DB.idx: -1
+rt: 10.58
+Class: Unknown
+rt.sd: 0.003
+Num Peaks: 32
+39.022 16;  41.038 38;  41.039 12;  42.034 11;  43.041 7;
+54.034 169;  55.042 104;  56.049 999;  56.05 9;  66.032 166;
+66.033 34;  67.04 16;  68.048 86;  68.049 13;  69.044 41;
+81.044 469;  82.052 695;  83.059 999;  93.044 606;  95.06 112;
+110.07 999;  111.054 16;  112.086 2;  138.065 2;  156.074 999;
+
+Name: L-Alanine
+DB.idx: -1
+rt: 10.58
+Class: Unknown
+rt.sd: 0.003
+Num Peaks: 32
+73.0465  826983.38; 74.0481  70018.08; 75.0319  69475.73; 100.0573  37477.24; 103.0227  43054.28;
+116.0884  1433179.62; 117.0905  151975.23; 118.0869  53105.64; 128.0526  26404.77; 131.0359  22647.44;
+133.0438  22141.56; 147.0666  255488.28; 48.066  49965.66; 149.0551  37762.38; 190.1069  72568.23;
+191.1063  18017.34; 192.1023  6460.8; 207.0333  35435.81; 218.1028  30528.82;
+
+Name: L-Leucine
+DB.idx: -1
+rt: 10.58
+Class: Unknown
+rt.sd: 0.003
+Num Peaks: 32
+59.0317  111211.31; 73.0465  1904156.25; 73.0887  176802.89; 74.0478  172098.67; 75.034  126044.58;
+100.0578  148105.59; 102.0732  557823.12; 103.0737  58556.5; 116.0893  113683.96; 131.0348  50693.96;
+133.0477  79174.27; 142.1041  51780.19; 147.0656  486292; 148.0669  84540.63; 149.0594  53340.05;
+158.1362  4905104; 159.1367  769335.25; 159.1838  164298.34; 160.1347  213437.45; 170.0993  56866.69;
+218.1033  189619.22; 232.155  215419.53; 233.1535  69567.91; 260.1492  87687.36;
\ No newline at end of file
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/t/golm_ws_LibrarySearch_test.t	Mon Dec 05 08:32:04 2016 -0500
@@ -0,0 +1,656 @@
+#! perl
+use diagnostics;
+use warnings;
+no warnings qw/void/;
+use strict;
+no strict "refs" ;
+use Test::More qw( no_plan );
+use FindBin ;
+use Carp ;
+
+## Specific Modules
+use lib $FindBin::Bin ;
+my $binPath = $FindBin::Bin ;
+
+
+use lib::golm_ws_api_test qw( :ALL ) ;
+
+## To launch the right sequence : API, MSP...
+my $sequence = 'MSP' ;
+my $current_test = 1 ;
+
+
+#### #### ##### ###### ################################################ ###### ##### ##### ###### ######
+
+								## START of API SEQUENCE ##
+
+#### #### ##### ###### ################################################ ###### ##### ##### ###### ######
+
+
+if ($sequence eq "API") {
+
+	## testing api module of golm wrapper.
+	## 		- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
+	print "\n\t\t\t  * * * * * * \n" ;
+	print "\t  * * * - - - Test Golm API module - - - * * * \n\n" ;
+
+	##		- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
+
+
+
+##		- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
+# ARGS : $ws_url, $ws_proxy
+# Structure of res : @ret = [ %val1, %val2, ... %valN ]
+print "\n** Test $current_test test_query_golm with default parameters **\n" ; $current_test++;
+is_deeply( test_query_golmTest("http://gmd.mpimp-golm.mpg.de", "http://gmd.mpimp-golm.mpg.de/webservices/wsLibrarySearch.asmx"),
+1,
+"Method \'test_query_golm\' Test Golm webservice with default spectrum");
+
+print "\n- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -\n" ;
+
+
+
+##		- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
+# ARGS : $ws_url, $ws_proxy
+## 		- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
+print "\n** Test $current_test connectWSlibrarySearchGolm with real uri and proxy **\n" ; $current_test++;
+isa_ok( connectWSlibrarySearchGolmTest("http://gmd.mpimp-golm.mpg.de", "http://gmd.mpimp-golm.mpg.de/webservices/wsLibrarySearch.asmx"), 'SOAP::Lite' );
+
+
+
+##		- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
+# ARGS : $ri, $riWindow, $gcColumn, $spectrum, $maxHits, $JaccardDistanceThreshold,
+#		$s12GowerLegendreDistanceThreshold,$DotproductDistanceThreshold,$HammingDistanceThreshold,
+#		$EuclideanDistanceThreshold,$ws_url, $ws_proxy,$default_ri, $default_ri_window, $default_gc_column
+# Structure of res : @limited_hits = [ %val1, %val2, ... %valN ], @json_res = [ ojson1, ojson2,... ]
+print "\n** Test $current_test LibrarySearch with a list of mzs, intensities and real search parameters **\n" ; $current_test++;
+is_deeply(LibrarySearchTest(1898, 5, "VAR5", "70 3 71 3 72 16 73 999 74 87 75 78 76 4 77 5 81 1 82 6 83 13 84 4 85 3 86 4 87 5 88 4 89 52 90 4 91 2 97 2 98 1 99 4 100 12 101 16 102 9 103 116 104 11 105 26 106 2 107 1 111 1 112 1 113 4 114 11 115 7 116 5 117 93 118 9 119 8 126 1 127 3 128 3 129 101 130 19 131 25 132 4 133 60 134 8 135 4 140 1 141 1 142 4 143 13 144 2 145 6 146 1 147 276 148 44 149 27 150 3 151 1 156 1 157 70 158 12 159 5 160 148 161 26 162 7 163 8 164 1 168 1 169 2 170 1 172 3 173 4 174 1 175 4 177 4 186 2 187 1 189 28 190 7 191 13 192 2 193 1 201 5 202 1 203 3 204 23 205 162 206 31 207 16 208 2 210 2 214 1 215 2 216 8 217 88 218 18 219 8 220 1 221 6 222 1 229 23 230 6 231 11 232 3 233 4 234 3 235 1 243 1 244 2 245 1 246 2 247 1 256 1 262 3 263 1 269 2 270 1 274 4 275 1 277 4 278 1 291 7 292 2 293 1 300 1 305 4 306 1 307 4 308 1 318 1 319 122 320 37 321 17 322 3 323 1 343 1 364 2 365 1",
+							2, 0.9, 0.9, 0.5, 500, 0.5,"http://gmd.mpimp-golm.mpg.de", "http://gmd.mpimp-golm.mpg.de/webservices/wsLibrarySearch.asmx",1500, 3000, "VAR5"),
+
+        [
+          {
+            'analyteID' => '0a2b3536-2245-4c0e-bdbc-495766eeec67',
+            'metaboliteID' => '68513255-fc44-4041-bc4b-4fd2fae7541d',
+            'analyteName' => 'Glucose (1MEOX) (5TMS) BP',
+            'spectrumName' => 'Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-23]',
+            'EuclideanDistance' => '0.00648652157',
+            'HammingDistance' => 51,
+            'ri' => '1899.05493',
+            'spectrumID' => 'dd5bb721-ce4f-4cec-99ff-de2cb818304d',
+            's12GowerLegendreDistance' => '0.404159725',
+            'riDiscrepancy' => '1.054953',
+            'DotproductDistance' => '0.00376573764',
+            'JaccardDistance' => '0.2849162'
+          },
+          {
+            'DotproductDistance' => '0.0041610254',
+            'JaccardDistance' => '0.238709673',
+            'ri' => '1897.25439',
+            'spectrumID' => 'd00de57d-6fab-49d0-9aee-25e259da9180',
+            's12GowerLegendreDistance' => '0.367506444',
+            'riDiscrepancy' => '0.745605469',
+            'analyteName' => 'Idose (1MEOX) (5TMS) BP',
+            'spectrumName' => 'Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]',
+            'EuclideanDistance' => '0.007327365',
+            'HammingDistance' => 37,
+            'analyteID' => '6f4e926f-d7ef-47b6-a52c-91ff88ca567a',
+            'metaboliteID' => 'ab025068-f464-4bc6-9c92-994c29387db2'
+          }
+        ]
+        ,
+    "Method \'LibrarySearch\' returns a list of hits for a spectrum and parameters given in argument");
+
+
+print "\n- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -\n" ;
+
+##		- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
+# ARGS : $ri, $riWindow, $gcColumn, $spectrum, $maxHits, $JaccardDistanceThreshold,
+#		$s12GowerLegendreDistanceThreshold,$DotproductDistanceThreshold,$HammingDistanceThreshold,
+#		$EuclideanDistanceThreshold,$ws_url, $ws_proxy,$default_ri, $default_ri_window, $default_gc_column
+# Structure of res : @ret = [ %val1, %val2, ... %valN ]
+print "\n** Test $current_test BUG LibrarySearch with a list of mzs, intensities and empty spectrum **\n" ; $current_test++;
+is_deeply(LibrarySearchTest(1898, 5, "VAR5", "", 2, 0.9, 0.9, 0.5, 500, 0.5,"http://gmd.mpimp-golm.mpg.de", "http://gmd.mpimp-golm.mpg.de/webservices/wsLibrarySearch.asmx",1500, 3000, "VAR5"),
+[],
+"Method \'LibrarySearch\' returns a list of hits for a spectrum and parameters given in argument");
+
+print "\n- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -\n" ;
+
+
+
+
+##		- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
+# ARGS : $results,$JaccardDistanceThreshold,$s12GowerLegendreDistanceThreshold,
+#		$DotproductDistanceThreshold,$HammingDistanceThreshold,$EuclideanDistanceThreshold
+# Structure of res : @ret = [ %val1, %val2, ... %valN ]
+
+my $results = [
+          {
+            's12GowerLegendreDistance' => '0.404159725',
+            'JaccardDistance' => '0.2849162',
+            'ri' => '1899.05493',
+            'metaboliteID' => '68513255-fc44-4041-bc4b-4fd2fae7541d',
+            'EuclideanDistance' => '0.00648652157',
+            'HammingDistance' => '51',
+            'analyteID' => '0a2b3536-2245-4c0e-bdbc-495766eeec67',
+            'spectrumID' => 'dd5bb721-ce4f-4cec-99ff-de2cb818304d',
+            'DotproductDistance' => '0.00376573671',
+            'riDiscrepancy' => '1.054953',
+            'spectrumName' => 'Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-23]',
+            'analyteName' => 'Glucose (1MEOX) (5TMS) BP'
+          },
+          {
+            'analyteName' => 'Idose (1MEOX) (5TMS) BP',
+            'spectrumName' => 'Idose (1MEOX) (5TMS) BP [A191005-ambient-na-3]',
+            'riDiscrepancy' => '0.745605469',
+            'ri' => '1897.25439',
+            'metaboliteID' => 'ab025068-f464-4bc6-9c92-994c29387db2',
+            'JaccardDistance' => '0.835855663',
+            's12GowerLegendreDistance' => '0.771266937',
+            'DotproductDistance' => '0.0228821356',
+            'HammingDistance' => '718',
+            'EuclideanDistance' => '0.007299051',
+            'analyteID' => '6f4e926f-d7ef-47b6-a52c-91ff88ca567a',
+            'spectrumID' => '274f5578-3087-4c10-8a6c-6ffa6eb4bd6c'
+          }
+  		] ;
+print "\n** Test $current_test filter_scores_golm_results with results and thresholds **\n" ; $current_test++;
+is_deeply(filter_scores_golm_resultsTest($results, 0.9, 0.9, 0.5, 500, 0.5),
+		[
+          {
+            's12GowerLegendreDistance' => '0.404159725',
+            'DotproductDistance' => '0.00376573671',
+            'spectrumName' => 'Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-23]',
+            'analyteID' => '0a2b3536-2245-4c0e-bdbc-495766eeec67',
+            'riDiscrepancy' => '1.054953',
+            'ri' => '1899.05493',
+            'analyteName' => 'Glucose (1MEOX) (5TMS) BP',
+            'HammingDistance' => 51,
+            'spectrumID' => 'dd5bb721-ce4f-4cec-99ff-de2cb818304d',
+            'JaccardDistance' => '0.2849162',
+            'metaboliteID' => '68513255-fc44-4041-bc4b-4fd2fae7541d',
+            'EuclideanDistance' => '0.00648652157'
+          }
+        ],
+"Method \'filter_scores_golm_results\' returns results wich have distance scores under thresholds");
+
+print "\n- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -\n" ;
+
+
+
+##		- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
+# ARGS : $results,$JaccardDistanceThreshold,$s12GowerLegendreDistanceThreshold,
+#		$DotproductDistanceThreshold,$HammingDistanceThreshold,$EuclideanDistanceThreshold
+# Structure of res : @ret = [ %val1, %val2, ... %valN ]
+
+$results = [
+          {
+            's12GowerLegendreDistance' => '0.404159725',
+            'JaccardDistance' => '0.9849162',
+            'ri' => '1899.05493',
+            'metaboliteID' => '68513255-fc44-4041-bc4b-4fd2fae7541d',
+            'EuclideanDistance' => '0.00648652157',
+            'HammingDistance' => '51',
+            'analyteID' => '0a2b3536-2245-4c0e-bdbc-495766eeec67',
+            'spectrumID' => 'dd5bb721-ce4f-4cec-99ff-de2cb818304d',
+            'DotproductDistance' => '0.00376573671',
+            'riDiscrepancy' => '1.054953',
+            'spectrumName' => 'Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-23]',
+            'analyteName' => 'Glucose (1MEOX) (5TMS) BP'
+          },
+          {
+            'analyteName' => 'Idose (1MEOX) (5TMS) BP',
+            'spectrumName' => 'Idose (1MEOX) (5TMS) BP [A191005-ambient-na-3]',
+            'riDiscrepancy' => '0.745605469',
+            'ri' => '1897.25439',
+            'metaboliteID' => 'ab025068-f464-4bc6-9c92-994c29387db2',
+            'JaccardDistance' => '0.835855663',
+            's12GowerLegendreDistance' => '0.771266937',
+            'DotproductDistance' => '0.0228821356',
+            'HammingDistance' => '718',
+            'EuclideanDistance' => '0.007299051',
+            'analyteID' => '6f4e926f-d7ef-47b6-a52c-91ff88ca567a',
+            'spectrumID' => '274f5578-3087-4c10-8a6c-6ffa6eb4bd6c'
+          }
+  		] ;
+
+print "\n** Test $current_test filter_scores_golm_results with results having too high distance scores **\n" ; $current_test++;
+is_deeply(filter_scores_golm_resultsTest($results, 0.9, 0.9, 0.5, 500, 0.5),
+		[],
+"Method \'filter_scores_golm_results\' returns results wich have distance scores under thresholds");
+
+print "\n- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -\n" ;
+
+
+
+##		- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
+# ARGS : $results
+# Structure of res : @ret = [ %val1, %val2, ... %valN ]
+
+$results = [
+          {
+            's12GowerLegendreDistance' => '0.404159725',
+            'JaccardDistance' => '0.9849162',
+            'ri' => '1899.05493',
+            'metaboliteID' => '68513255-fc44-4041-bc4b-4fd2fae7541d',
+            'EuclideanDistance' => '0.00648652157',
+            'HammingDistance' => '51',
+            'analyteID' => '0a2b3536-2245-4c0e-bdbc-495766eeec67',
+            'spectrumID' => 'dd5bb721-ce4f-4cec-99ff-de2cb818304d',
+            'DotproductDistance' => '0.00376573671',
+            'riDiscrepancy' => '1.054953',
+            'spectrumName' => 'Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-23]',
+            'analyteName' => 'Glucose (1MEOX) (5TMS) BP'
+          },
+          {
+            's12GowerLegendreDistance' => '0.404159725',
+            'JaccardDistance' => '0.9849162',
+            'ri' => '1899.05493',
+            'metaboliteID' => '68513255-fc44-4041-bc4b-4fd2fae7541d',
+            'EuclideanDistance' => '0.00648652157',
+            'HammingDistance' => '51',
+            'analyteID' => '0a2b3536-2245-4c0e-bdbc-495766eeec67',
+            'spectrumID' => 'dd5bb721-ce4f-4cec-99ff-de2cb818304d',
+            'DotproductDistance' => '0.07376573671',
+            'riDiscrepancy' => '1.054953',
+            'spectrumName' => 'Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-23]',
+            'analyteName' => 'Glucose (1MEOX) (5TMS) BP'
+          }
+  		] ;
+
+print "\n** Test $current_test filter_replica_results with real parameters **\n" ; $current_test++;
+is_deeply(filter_replica_resultsTest($results),
+		[
+          {
+            's12GowerLegendreDistance' => '0.404159725',
+            'JaccardDistance' => '0.9849162',
+            'ri' => '1899.05493',
+            'metaboliteID' => '68513255-fc44-4041-bc4b-4fd2fae7541d',
+            'EuclideanDistance' => '0.00648652157',
+            'HammingDistance' => '51',
+            'analyteID' => '0a2b3536-2245-4c0e-bdbc-495766eeec67',
+            'spectrumID' => 'dd5bb721-ce4f-4cec-99ff-de2cb818304d',
+            'DotproductDistance' => '0.00376573671',
+            'riDiscrepancy' => '1.054953',
+            'spectrumName' => 'Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-23]',
+            'analyteName' => 'Glucose (1MEOX) (5TMS) BP'
+          }
+        ],
+"Method \'filter_replica_results\' returns results with unique spectra with lowest dotproduct");
+
+print "\n- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -\n" ;
+
+
+
+
+}
+
+
+#### #### ##### ###### ################################################ ###### ##### ##### ###### ######
+
+								## START of MSP SEQUENCE ##
+
+#### #### ##### ###### ################################################ ###### ##### ##### ###### ######
+
+
+elsif ($sequence eq "MSP") {
+
+	## testing msp module of golm wrapper.
+	## 		- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
+	print "\n\t\t\t  * * * * * * \n" ;
+	print "\t  * * * - - - Test MSP parsing module - - - * * * \n\n" ;
+
+	##		- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
+
+
+##		- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
+# ARGS : $msp_file, $mzRes
+# Structure of res: [ $arr_ref1 , $arr_ref2 ... $arr_refN ]
+print "\n** Test $current_test get_mzs from a .msp file normal parameters **\n" ; $current_test++;
+is_deeply( get_mzsTest('./data/inputSpectra_unit_test.msp',0),
+		[
+          [
+            73,
+            74,
+            75,
+            100,
+            103,
+            116,
+            117,
+            118,
+            128,
+            131,
+            133,
+            147,
+            48,
+            149,
+            190,
+            191,
+            192,
+            207,
+            218
+          ]
+        ],
+"Method \'get_mzs\' return an array of arrays refs containing mzs of all the spectra from a msp file");
+
+
+
+
+##		- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
+# ARGS : $msp_file, $mzRes
+# Structure of res: [ $arr_ref1 , $arr_ref2 ... $arr_refN ]
+print "\n** Test $current_test get_mzs from a .msp file: specific mzRes **\n" ; $current_test++;
+is_deeply( get_mzsTest('./data/inputSpectra_unit_test.msp',2),
+		[
+          [
+            '73.05',
+            '74.05',
+            '75.03',
+            '100.06',
+            '103.02',
+            '116.09',
+            '117.09',
+            '118.09',
+            '128.05',
+            '131.04',
+            '133.04',
+            '147.07',
+            '48.07',
+            '149.06',
+            '190.11',
+            '191.11',
+            '192.10',
+            '207.03',
+            '218.10'
+          ]
+        ],
+"Method \'get_mzs\' return an array of arrays refs containing mzs of all the spectra from a msp file ");
+
+
+
+
+##		- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
+# ARGS : $msp_file, $mzRes
+# Structure of res: [ $arr_ref1 , $arr_ref2 ... $arr_refN ]
+print "\n** Test $current_test get_mzs from a .msp file: too big mzRes **\n" ; $current_test++;
+is_deeply( get_mzsTest('./data/inputSpectra_unit_test.msp',10),
+		[
+          [
+            '73.0465000000',
+            '74.0481000000',
+            '75.0319000000',
+            '100.0573000000',
+            '103.0227000000',
+            '116.0884000000',
+            '117.0905000000',
+            '118.0869000000',
+            '128.0526000000',
+            '131.0359000000',
+            '133.0438000000',
+            '147.0666000000',
+            '48.0660000000',
+            '149.0551000000',
+            '190.1069000000',
+            '191.1063000000',
+            '192.1023000000',
+            '207.0333000000',
+            '218.1028000000'
+          ]
+        ],
+"Method \'get_mzs\' return an array of arrays refs containing mzs of all the spectra from a msp file ");
+
+
+
+
+
+##		- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
+# ARGS : $msp_file
+# Structure of res: [ $arr_ref1 , $arr_ref2 ... $arr_refN ]
+print "\n** Test $current_test get_intensities from a .msp file **\n" ; $current_test++;
+is_deeply(get_intensitiesTest('./data/inputSpectra_unit_test.msp'),
+		[
+          [
+            '826983.38',
+            '70018.08',
+            '69475.73',
+            '37477.24',
+            '43054.28',
+            '1433179.62',
+            '151975.23',
+            '53105.64',
+            '26404.77',
+            '22647.44',
+            '22141.56',
+            '255488.28',
+            '49965.66',
+            '37762.38',
+            '72568.23',
+            '18017.34',
+            '6460.8',
+            '35435.81',
+            '30528.82'
+          ]
+        ],
+"Method \'get_mzs\' return an array of arrays refs containing mzs of all the spectra from a msp file");
+
+
+
+
+
+##		- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
+# ARGS : $inputSpectra,$mzRes
+# Structure of res: [ $arr_ref1 , $arr_ref2 ... $arr_refN ]
+print "\n** Test $current_test get_masses_from_stringTest from string of mzs and intensities **\n" ; $current_test++;
+is_deeply(get_masses_from_stringTest('70 3 71 3 72 16 73 999 74 87 75 78 76 4 77 5 81 1 82 6 83 13 84 4 85 3 86 4 87 5 88 4 89 52 90 4 91 2 97 2 98 1 99 4 100
+ 12 101 16 102 9 103 116 104 11 105 26 106 2 107 1 111 1 112 1 113 4 114 11 115 7 116 5 117 93 118 9 119 8 126 1 127 3 128 3 129 101 130 19 131 25 132 4 133 60 134 8 135 4 140
+  1 141 1 142 4 143 13 144 2 145 6 146 1 147 276 148 44 149 27 150 3 151 1 156 1 157 70 158 12 159 5 160 148 161 26 162 7 163 8 164 1 168 1 169 2 170 1 172 3 173 4 174 1 175 4
+   177 4 186 2 187 1 189 28 190 7 191 13 192 2 193 1 201 5 202 1 203 3 204 23 205 162 206 31 207 16 208 2 210 2 214 1 215 2 216 8 217 88 218 18 219 8 220 1 221 6 222 1 229 23
+    230 6 231 11 232 3 233 4 234 3 235 1 243 1 244 2 245 1 246 2 247 1 256 1 262 3 263 1 269 2 270 1 274 4 275 1 277 4 278 1 291 7 292 2 293 1 300 1 305 4 306 1 307 4 308 1 318
+     1 319 122 320 37 321 17 322 3 323 1 343 1 364 2 365 1', 0),
+		[
+          '70', '71', '72', '73', '74', '75', '76', '77', '81', '82', '83', '84', '85', '86', '87', '88', '89', '90', '91', '97', '98', '99', '100', '101', '102', '103', '104', '105', '106', '107', '111', '112', '113', '114', '115', '116', '117', '118', '119', '126', '127', '128', '129', '130', '131', '132', '133', '134', '135', '140', '141', '142', '143', '144', '145', '146', '147', '148', '149', '150', '151', '156', '157', '158', '159', '160', '161', '162', '163', '164', '168', '169', '170', '172', '173', '174', '175', '177', '186', '187', '189', '190', '191', '192', '193', '201', '202', '203', '204', '205', '206', '207', '208', '210', '214', '215', '216', '217', '218', '219', '220', '221', '222', '229', '230', '231', '232', '233', '234', '235', '243', '244', '245', '246', '247', '256', '262', '263', '269', '270', '274', '275', '277', '278', '291', '292', '293', '300', '305', '306', '307', '308', '318', '319', '320', '321', '322', '323', '343', '364', '365'
+		],
+"Method \'get_masses_from_stringTest\' return an array containing all masses from a string");
+
+
+
+
+##		- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
+# ARGS : $inputSpectra
+# Structure of res: [ $arr_ref1 , $arr_ref2 ... $arr_refN ]
+print "\n** Test $current_test get_intensities_from_stringTest from string of mzs and intensities **\n" ; $current_test++;
+is_deeply(get_intensities_from_stringTest("70 3 71 3 72 16 73 999 74 87 75 78 76 4 77 5 81 1 82 6 83 13 84 4 85 3 86 4 87 5 88 4 89 52 90 4 91 2 97 2 98 1 99 4 100
+ 12 101 16 102 9 103 116 104 11 105 26 106 2 107 1 111 1 112 1 113 4 114 11 115 7 116 5 117 93 118 9 119 8 126 1 127 3 128 3 129 101 130 19 131 25 132 4 133 60 134 8 135 4 140
+  1 141 1 142 4 143 13 144 2 145 6 146 1 147 276 148 44 149 27 150 3 151 1 156 1 157 70 158 12 159 5 160 148 161 26 162 7 163 8 164 1 168 1 169 2 170 1 172 3 173 4 174 1 175 4
+   177 4 186 2 187 1 189 28 190 7 191 13 192 2 193 1 201 5 202 1 203 3 204 23 205 162 206 31 207 16 208 2 210 2 214 1 215 2 216 8 217 88 218 18 219 8 220 1 221 6 222 1 229 23
+    230 6 231 11 232 3 233 4 234 3 235 1 243 1 244 2 245 1 246 2 247 1 256 1 262 3 263 1 269 2 270 1 274 4 275 1 277 4 278 1 291 7 292 2 293 1 300 1 305 4 306 1 307 4 308 1 318
+     1 319 122 320 37 321 17 322 3 323 1 343 1 364 2 365 1"),
+		[
+          '3', '3', '16', '999', '87', '78', '4', '5', '1', '6', '13', '4', '3', '4', '5', '4', '52', '4', '2', '2', '1', '4', '12', '16', '9', '116', '11', '26', '2', '1', '1', '1', '4', '11', '7', '5', '93', '9', '8', '1', '3', '3', '101', '19', '25', '4', '60', '8', '4', '1', '1', '4', '13', '2', '6', '1', '276', '44', '27', '3', '1', '1', '70', '12', '5', '148', '26', '7', '8', '1', '1', '2', '1', '3', '4', '1', '4', '4', '2', '1', '28', '7', '13', '2', '1', '5', '1', '3', '23', '162', '31', '16', '2', '2', '1', '2', '8', '88', '18', '8', '1', '6', '1', '23', '6', '11', '3', '4', '3', '1', '1', '2', '1', '2', '1', '1', '3', '1', '2', '1', '4', '1', '4', '1', '7', '2', '1', '1', '4', '1', '4', '1', '1', '122', '37', '17', '3', '1', '1', '2', '1'
+        ],
+"Method \'get_intensities_from_stringTest\' return an array containing all intensities from a string");
+
+
+
+
+
+##		- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
+# ARGS : $mzs,$intensities
+# Structure of res: [ $arr_ref1 , $arr_ref2 ... $arr_refN ]
+print "\n** Test $current_test encode_spectrum_for_query from mzs and intensities arrays **\n" ; $current_test++;
+
+my $mzs = [
+		[73,147,157,160,205,217,272,319,320],
+		[73,129,147,157,160,205,217,319,320]
+		] ;
+
+my $intensities = [
+				[5764652,5244020,3561241,3454586,4437872,3601276,30900.41,5352581,3587208],
+	            [5551756,3361335,5231997,3641748,3947240,4374348,3683153,5377373,3621938]
+				];
+
+is_deeply(encode_spectrum_for_queryTest($mzs,$intensities),
+[
+	'73 5764652 147 5244020 157 3561241 160 3454586 205 4437872 217 3601276 272 30900.41 319 5352581 320 3587208 ',
+	'73 5551756 129 3361335 147 5231997 157 3641748 160 3947240 205 4374348 217 3683153 319 5377373 320 3621938 ',
+],
+"Method \'encode_spectrum_for_query\' return an array containing WS formatted spectrum strings");
+
+
+
+
+##		- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
+# ARGS : $mzs,$intensities
+# Structure of res: [ $arr_ref1 , $arr_ref2 ... $arr_refN ]
+print "\n** Test $current_test encode_spectrum_for_query from empty mzs and intensities arrays **\n" ; $current_test++;
+
+$mzs = [] ;
+
+$intensities = [];
+
+is_deeply(encode_spectrum_for_queryTest($mzs,$intensities),
+[],
+"Method \'encode_spectrum_for_query\' return an array containing WS formatted spectrum strings");
+
+
+
+##		- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
+# ARGS : $mzs,$intensities
+# Structure of res: [ $arr_ref1 , $arr_ref2 ... $arr_refN ]
+print "\n** Test $current_test encode_spectrum_for_query from undef mzs and intensities arrays **\n" ; $current_test++;
+is_deeply(encode_spectrum_for_queryTest(undef,undef),
+[],
+"Method \'encode_spectrum_for_query\' return an array containing WS formatted spectrum strings");
+
+
+
+
+##		- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
+# ARGS : $mzs_res_sorted, $maxIons
+# Structure of res: [ $arr_ref1 , $arr_ref2 ... $arr_refN ]
+print "\n** Test $current_test keep_only_max_masses from mzs arrays according to a max ions given in argument **\n" ; $current_test++;
+is_deeply(keep_only_max_massesTest(
+		[
+          '73', '147', '205', '160', '319', '103', '129', '117', '217', '74', '75', '157', '133', '89', '148', '320', '206', '189', '149', '105', '161', '131', '204', '229', '130', '218', '321', '72', '101', '207', '83', '143', '191', '100', '158', '104', '114', '231', '102', '118', '119', '134', '163', '216', '219', '115', '162', '190', '291', '82', '145', '221', '230', '77', '87', '116', '159', '201', '76', '84', '86', '88', '90', '99', '113', '132', '135', '142', '173', '175', '177', '233', '274', '277', '305', '307', '70', '71', '85', '127', '128', '150', '172', '203', '232', '234', '262', '322', '91', '97', '106', '144', '169', '186', '192', '208', '210', '215', '244', '246', '269', '292', '364', '81', '98', '107', '111', '112', '126', '140', '141', '146', '151', '156', '164', '168', '170', '174', '187', '193', '202', '214', '220', '222', '235', '243', '245', '247', '256', '263', '270', '275', '278', '293', '300', '306', '308', '318', '323', '343', '365'
+        ], 2),
+		[
+          '73',
+          '147'
+        ],
+"Method \'keep_only_max_masses\' return an array containing the number of masses to send to Golm");
+
+
+
+##		- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
+# ARGS : $mzs_res_sorted, $maxIons
+# Structure of res: [ $arr_ref1 , $arr_ref2 ... $arr_refN ]
+print "\n** Test $current_test keep_only_max_intensities from intensity arrays according to a max ions given in argument **\n" ; $current_test++;
+is_deeply(keep_only_max_intensitiesTest(
+		[
+          999,276,162,148,122,116,101,93,88,87,78,70,60,52,44,37,31,28,27,26,26,25,23,23,19,18,17,16,16,16,13,13,13,12,12,11,11,11,9,9,8,8,8,8,8,7,7,7,7,6,6,6,6,5,5,5,5,5,4,4,4,4,4,4,4,4,4,4,4,4,4,4,4,4,4,4,3,3,3,3,3,3,3,3,3,3,3,3,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1
+        ], 2),
+		[
+          999,
+          276
+        ],
+"Method \'keep_only_max_intensities\' return an array containing the number of intensities to send to Golm");
+
+
+
+##		- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
+# ARGS : $ref_mzs_res, $ref_ints_res
+# Structure of res: [ mz1,mz2,... ] , [ int1,int2,... ]
+print "\n** Test $current_test sorting_descending_intensities sort mzs and intensities arrays by descending intensity values **\n" ; $current_test++;
+is_deeply(sorting_descending_intensities1Test(
+		[
+          '70','71','72','73','74','75','76','77','81','82','83','84','85','86','87','88','89','90','91','97','98','99','100','101','102','103','104','105','106','107','111','112','113','114','115','116','117','118','119','126','127','128','129','130','131','132','133','134','135','140','141','142','143','144','145','146','147','148','149','150','151','156','157','158','159','160','161','162','163','164','168','169','170','172','173','174','175','177','186','187','189','190','191','192','193','201','202','203','204','205','206','207','208','210','214','215','216','217','218','219','220','221','222','229','230','231','232','233','234','235','243','244','245','246','247','256','262','263','269','270','274','275','277','278','291','292','293','300','305','306','307','308','318','319','320','321','322','323','343','364','365'
+        ],
+        [
+          '3','3','16','999','87','78','4','5','1','6','13','4','3','4','5','4','52','4','2','2','1','4','12','16','9','116','11','26','2','1','1','1','4','11','7','5','93','9','8','1','3','3','101','19','25','4','60','8','4','1','1','4','13','2','6','1','276','44','27','3','1','1','70','12','5','148','26','7','8','1','1','2','1','3','4','1','4','4','2','1','28','7','13','2','1','5','1','3','23','162','31','16','2','2','1','2','8','88','18','8','1','6','1','23','6','11','3','4','3','1','1','2','1','2','1','1','3','1','2','1','4','1','4','1','7','2','1','1','4','1','4','1','1','122','37','17','3','1','1','2','1'
+        ]),
+		[
+          '73','147','205','160','319','103','129','117','217','74','75','157','133','89','148','320','206','189','149','105','161','131','204','229','130','218','321','72','101','207','83','143','191','100','158','104','114','231','102','118','119','134','163','216','219','115','162','190','291','82','145','221','230','77','87','116','159','201','76','84','86','88','90','99','113','132','135','142','173','175','177','233','274','277','305','307','70','71','85','127','128','150','172','203','232','234','262','322','91','97','106','144','169','186','192','208','210','215','244','246','269','292','364','81','98','107','111','112','126','140','141','146','151','156','164','168','170','174','187','193','202','214','220','222','235','243','245','247','256','263','270','275','278','293','300','306','308','318','323','343','365'
+        ],
+"Method \'sorting_descending_intensities\' return the arrays of mz sorted accordingly to the rearrangment of the ints array");
+
+
+
+
+##		- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
+# ARGS : $ref_mzs_res, $ref_ints_res
+# Structure of res: [ mz1,mz2,... ] , [ int1,int2,... ]
+print "\n** Test $current_test sorting_descending_intensities sort mzs and intensities arrays by descending intensity values **\n" ; $current_test++;
+is_deeply(sorting_descending_intensities2Test(
+		[
+          '70','71','72','73','74','75','76','77','81','82','83','84','85','86','87','88','89','90','91','97','98','99','100','101','102','103','104','105','106','107','111','112','113','114','115','116','117','118','119','126','127','128','129','130','131','132','133','134','135','140','141','142','143','144','145','146','147','148','149','150','151','156','157','158','159','160','161','162','163','164','168','169','170','172','173','174','175','177','186','187','189','190','191','192','193','201','202','203','204','205','206','207','208','210','214','215','216','217','218','219','220','221','222','229','230','231','232','233','234','235','243','244','245','246','247','256','262','263','269','270','274','275','277','278','291','292','293','300','305','306','307','308','318','319','320','321','322','323','343','364','365'
+        ],
+        [
+          '3','3','16','999','87','78','4','5','1','6','13','4','3','4','5','4','52','4','2','2','1','4','12','16','9','116','11','26','2','1','1','1','4','11','7','5','93','9','8','1','3','3','101','19','25','4','60','8','4','1','1','4','13','2','6','1','276','44','27','3','1','1','70','12','5','148','26','7','8','1','1','2','1','3','4','1','4','4','2','1','28','7','13','2','1','5','1','3','23','162','31','16','2','2','1','2','8','88','18','8','1','6','1','23','6','11','3','4','3','1','1','2','1','2','1','1','3','1','2','1','4','1','4','1','7','2','1','1','4','1','4','1','1','122','37','17','3','1','1','2','1'
+        ]),
+		[
+          999,276,162,148,122,116,101,93,88,87,78,70,60,52,44,37,31,28,27,26,26,25,23,23,19,18,17,16,16,16,13,13,13,12,12,11,11,11,9,9,8,8,8,8,8,7,7,7,7,6,6,6,6,5,5,5,5,5,4,4,4,4,4,4,4,4,4,4,4,4,4,4,4,4,4,4,3,3,3,3,3,3,3,3,3,3,3,3,2,2,2,2,2,2,2,2,2,2,2,2,2,2,2,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1
+        ],
+"Method \'sorting_descending_intensities\' return the arrays of ints sorted by descending intensity values");
+
+
+
+##		- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
+# ARGS : $ref_mzs_res, $ref_ints_res
+# Structure of res: [ mz1,mz2,... ] , [ int1,int2,... ]
+print "\n** Test $current_test sorting_descending_intensities remove redundant masses **\n" ; $current_test++;
+is_deeply(remove_redundants1Test(
+		[
+          '70','71','71','73'
+		],
+        [
+          '147','259','276','45'
+        ]),
+		[
+          '70','71','73'
+        ],
+"Method \'sorting_descending_intensities\' return the arrays of masses of non redundant ions");
+
+
+
+##		- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
+# ARGS : $ref_mzs_res, $ref_ints_res
+# Structure of res: [ mz1,mz2,... ] , [ int1,int2,... ]
+print "\n** Test $current_test sorting_descending_intensities remove redundant masses **\n" ; $current_test++;
+is_deeply(remove_redundants2Test(
+		[
+          '70','71','71','73'
+		],
+        [
+          '147','259','276','45'
+        ]),
+		[
+          '147','276','45'
+        ],
+"Method \'sorting_descending_intensities\' return the arrays of ints of non redundant ions");
+
+
+
+##		- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
+# ARGS : $uniq_total_intensities
+# Structure of res: [ [int1,int2,...] , ... ]
+print "\n** Test $current_test apply_relative_intensity make intensities to relative **\n" ; $current_test++;
+is_deeply(apply_relative_intensityTest(
+		[
+          [
+            '1433179.62','826983.38','255488.28','151975.23','72568.23','70018.08','69475.73','53105.64','49965.66','43054.28','37762.38','37477.24','35435.81','30528.82','26404.77','22647.44','22141.56','18017.34','6460.8'
+          ]
+        ],
+        ),
+		[
+          [
+            '100','57.7027030289476','17.8266754867753','10.6040602224025','5.063442780466','4.88550625636164','4.84766382597598','3.7054420296599','3.48635016174735','3.00410914299772','2.63486721922546','2.61497159720985','2.47253097277507','2.13014611525107','1.84239083723504','1.58022341958784','1.54492568070428','1.25715854095106','0.450801833199386'
+          ]
+        ],
+"Method \'apply_relative_intensity\' return the arrays of relativ intensities");
+
+
+
+}
+else {
+	croak "Can\'t launch any test : no sequence clearly defined !!!!\n" ;
+}
+
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/t/lib/golm_ws_api_test.pm	Mon Dec 05 08:32:04 2016 -0500
@@ -0,0 +1,172 @@
+package lib::golm_ws_api_test ;
+
+use diagnostics; # this gives you more debugging information
+use warnings;    # this warns you of bad practices
+use strict;      # this prevents silly errors
+use Exporter ;
+use Carp ;
+
+use Data::Dumper ;
+
+our $VERSION = "1.0";
+our @ISA = qw(Exporter);
+our @EXPORT = qw( keep_only_max_massesTest keep_only_max_intensitiesTest test_query_golmTest connectWSlibrarySearchGolmTest LibrarySearchTest encode_spectrum_for_queryTest get_mzsTest get_intensitiesTest get_masses_from_stringTest get_intensities_from_stringTest sorting_descending_intensities1Test sorting_descending_intensities2Test remove_redundants1Test remove_redundants2Test filter_scores_golm_resultsTest filter_replica_resultsTest apply_relative_intensityTest);
+our %EXPORT_TAGS = ( ALL => [qw( keep_only_max_massesTest keep_only_max_intensitiesTest test_query_golmTest connectWSlibrarySearchGolmTest LibrarySearchTest encode_spectrum_for_queryTest get_mzsTest get_intensitiesTest get_masses_from_stringTest get_intensities_from_stringTest sorting_descending_intensities1Test sorting_descending_intensities2Test remove_redundants1Test remove_redundants2Test filter_scores_golm_resultsTest filter_replica_resultsTest apply_relative_intensityTest)] );
+
+
+use lib::golm_ws_api qw( :ALL ) ;
+use lib::msp qw( :ALL ) ;
+use lib::output qw( :ALL ) ;
+
+### Test API module ###
+
+sub test_query_golmTest {
+	my ($ws_url, $ws_proxy) = @_;
+    my $oBih = lib::golm_ws_api->new() ;
+    my ($status) = $oBih->test_query_golm($ws_url, $ws_proxy) ;
+    return ($status) ;
+}
+
+
+sub connectWSlibrarySearchGolmTest {
+	my ($ws_url, $ws_proxy) = @_ ;
+    my $oBih = lib::golm_ws_api->new() ;
+    my ($soap) = $oBih->connectWSlibrarySearchGolm($ws_url, $ws_proxy) ;
+    return ($soap) ;
+}
+
+
+sub LibrarySearchTest {
+	my ($ri, $riWindow, $gcColumn, $spectrum, $maxHits, $JaccardDistanceThreshold,
+		$s12GowerLegendreDistanceThreshold,$DotproductDistanceThreshold,$HammingDistanceThreshold,
+		$EuclideanDistanceThreshold,$ws_url, $ws_proxy,$default_ri, $default_ri_window, $default_gc_column) = @_ ;
+	my $oBih = lib::golm_ws_api->new() ;
+    my ($limited_hits) =$oBih->LibrarySearch($ri, $riWindow, $gcColumn, $spectrum, $maxHits, $JaccardDistanceThreshold,
+											$s12GowerLegendreDistanceThreshold,$DotproductDistanceThreshold,$HammingDistanceThreshold,
+											$EuclideanDistanceThreshold,$ws_url, $ws_proxy,$default_ri, $default_ri_window, $default_gc_column) ;
+    return ($limited_hits) ;
+}
+
+
+sub filter_scores_golm_resultsTest {
+	my ($results,$JaccardDistanceThreshold,$s12GowerLegendreDistanceThreshold,
+		$DotproductDistanceThreshold,$HammingDistanceThreshold,$EuclideanDistanceThreshold) = @_ ;
+    my $oBih = lib::golm_ws_api->new() ;
+    my ($filtered_res_before_hits_limited) = $oBih->filter_scores_golm_results($results,$JaccardDistanceThreshold,$s12GowerLegendreDistanceThreshold,
+													$DotproductDistanceThreshold,$HammingDistanceThreshold,$EuclideanDistanceThreshold) ;
+    return ($filtered_res_before_hits_limited) ;
+}
+
+
+sub filter_replica_resultsTest {
+	my ($results) = @_ ;
+    my $oBih = lib::golm_ws_api->new() ;
+    my ($sortAnalytes) = $oBih->filter_replica_results($results) ;
+    return ($sortAnalytes) ;
+}
+
+
+
+
+### Test MSP module ###
+
+sub get_mzsTest {
+	my ($inputSpectra, $mzRes) = @_;
+	my $omsp = lib::msp->new();
+	my $mzs = $omsp->get_mzs ($inputSpectra, $mzRes) ;
+    return($mzs) ;
+}
+
+
+sub get_intensitiesTest {
+	my ($inputSpectra) = @_;
+	my $omsp = lib::msp->new();
+	my $intensities = $omsp->get_intensities($inputSpectra) ;
+    return($intensities) ;
+}
+
+
+sub get_masses_from_stringTest {
+	my ($inputSpectra, $mzRes) = @_;
+	my $omsp = lib::msp->new();
+	my ($ref_mzs_res) = $omsp->get_masses_from_string($inputSpectra, $mzRes) ;
+    return($ref_mzs_res) ;
+}
+
+
+sub get_intensities_from_stringTest {
+	my ($inputSpectra) = @_;
+	my $omsp = lib::msp->new();
+	my ($ref_ints_res) = $omsp->get_intensities_from_string($inputSpectra) ;
+    return($ref_ints_res) ;
+}
+
+
+sub keep_only_max_massesTest {
+	my ($ref_mzs_res, $maxIons) = @_;
+	my $omsp = lib::msp->new();
+	my ($mzs_res_sorted) = $omsp->keep_only_max_masses($ref_mzs_res, $maxIons) ;
+    return($mzs_res_sorted) ;
+}
+
+
+sub keep_only_max_intensitiesTest {
+	my ($ref_ints_res, $maxIons) = @_;
+	my $omsp = lib::msp->new();
+	my ($ints_res_sorted) = $omsp->keep_only_max_intensities($ref_ints_res, $maxIons) ;
+    return($ints_res_sorted) ;
+}
+
+
+sub sorting_descending_intensities1Test {
+	my ($uniq_total_masses, $uniq_total_intensities) = @_;
+	my $omsp = lib::msp->new();
+	my ($mzs_res_sorted, $ints_res_sorted) = $omsp->sorting_descending_intensities($uniq_total_masses, $uniq_total_intensities) ;
+    return($mzs_res_sorted) ;
+}
+
+
+sub sorting_descending_intensities2Test {
+	my ($uniq_total_masses, $uniq_total_intensities) = @_;
+	my $omsp = lib::msp->new();
+	my ($mzs_res_sorted, $ints_res_sorted) = $omsp->sorting_descending_intensities($uniq_total_masses, $uniq_total_intensities) ;
+    return($ints_res_sorted) ;
+}
+
+
+sub encode_spectrum_for_queryTest {
+	my ($mzs_res_sorted, $relative_ints_res) = @_;
+	my $omsp = lib::msp->new();
+	my $encoded_spectra = $omsp->encode_spectrum_for_query($mzs_res_sorted, $relative_ints_res) ;
+	return ($encoded_spectra) ;
+}
+
+
+sub remove_redundants1Test {
+	my ($ref_mzs_res, $ref_ints_res) = @_;
+	my $omsp = lib::msp->new();
+	my ($uniq_masses , $uniq_intensities) = $omsp->remove_redundants($ref_mzs_res, $ref_ints_res, $ref_mzs_res, $ref_ints_res) ;
+	return ($uniq_masses ) ;
+}
+
+
+sub remove_redundants2Test {
+	my ($ref_mzs_res, $ref_ints_res) = @_;
+	my $omsp = lib::msp->new();
+	my ($uniq_masses , $uniq_intensities) = $omsp->remove_redundants($ref_mzs_res, $ref_ints_res, $ref_mzs_res, $ref_ints_res) ;
+	return ($uniq_intensities) ;
+}
+
+
+sub apply_relative_intensityTest {
+	my ($uniq_total_intensities) = @_;
+	my $omsp = lib::msp->new();
+	my ($relative_ints_res) = $omsp->apply_relative_intensity($uniq_total_intensities) ;
+	return ($relative_ints_res) ;
+}
+
+
+
+
+
+1 ;
\ No newline at end of file
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/KHanaoka_peakspectra.msp	Mon Dec 05 08:32:04 2016 -0500
@@ -0,0 +1,995 @@
+Name: Unknown 1
+DB.idx: -1
+rt: 21.716
+Class: Unknown
+rt.sd: 0.0034
+Num Peaks: 35
+ 34  1872;  36  4218;  37  39432;  38  76320;  39  394560;
+ 40  63368;  41  582144;  42  606848;  43  431680;  44  44888;
+ 45  499264;  46  17176;  47  15103;  49  2157;  50  3843;
+ 51  2281;  52  2201;  53  15926;  54  5466;  55  274496;
+ 56  14999;  60  2631168;  61  67568;  62  10726;  68  8040;
+ 69  45736;  70  23664;  71  72120;  73  877056;  74  33392;
+ 75  3772;  87  39608;  88  45784;  89  14154;  90  896;
+
+Name: Unknown 2
+DB.idx: -2
+rt: 3.513
+Class: Unknown
+rt.sd: 0.0015
+Num Peaks: 49
+ 38  1882;  39  92080;  40  19592;  41  480832;  42  32344;
+ 43  236928;  44  9597;  50  1989;  51  6101;  52  3524;
+ 53  33960;  54  7422;  55  180224;  56  962752;  57  2366976;
+ 58  104656;  59  1985;  63  1022;  65  6145;  66  2078;
+ 67  18928;  68  3234;  69  57408;  70  19928;  71  145600;
+ 72  8488;  77  5033;  78  1226;  79  5690;  80  844;
+ 81  5024;  82  1579;  83  32352;  84  4554;  85  118632;
+ 86  8063;  93  979;  95  1734;  97  10545;  98  6114;
+ 99  106120;  100  8584;  111  2090;  112  72392;  113  45768;
+ 114  3665;  154  609;  155  9266;  156  1436;
+
+Name: Unknown 3
+DB.idx: -3
+rt: 23.84
+Class: Unknown
+rt.sd: 0.0026
+Num Peaks: 54
+ 37  7073;  38  20224;  39  248384;  40  35488;  41  550912;
+ 42  136384;  43  525248;  44  31760;  45  194496;  46  8497;
+ 47  6316;  49  2397;  50  19512;  51  29464;  52  10230;
+ 53  63488;  54  19584;  55  630656;  56  186368;  57  1009344;
+ 58  51240;  59  165376;  60  333120;  61  23528;  62  4084;
+ 63  3412;  65  3729;  67  8115;  68  3773;  69  46152;
+ 70  45040;  71  9504;  73  576704;  74  555520;  75  51688;
+ 76  3653;  77  3575;  81  9534;  82  3455;  83  158144;
+ 84  9385;  87  64288;  88  5187;  97  16776;  98  6155;
+ 99  12940;  100  3073;  101  34232;  102  2837;  103  5049;
+ 104  2812;  115  1848;  117  3546;  132  1975;
+
+Name: Unknown 4
+DB.idx: -4
+rt: 24.238
+Class: Unknown
+rt.sd: 0.0028
+Num Peaks: 45
+ 37  3606;  38  10762;  39  129176;  40  21632;  41  270080;
+ 42  135168;  43  183936;  44  14971;  45  164352;  46  5267;
+ 47  4082;  50  5846;  51  9314;  52  3492;  53  20872;
+ 54  7617;  55  156672;  56  91288;  57  100008;  58  6730;
+ 59  19280;  60  922752;  61  93328;  62  6487;  63  2150;
+ 65  2738;  67  4649;  68  5233;  69  31944;  70  30864;
+ 71  7478;  73  431168;  74  61272;  75  4651;  80  4459;
+ 83  10227;  87  129904;  97  4419;  98  4035;  99  8020;
+ 105  2057;  119  3784;  129  740;  159  4461;  160  722;
+
+Name: Unknown 5
+DB.idx: -5
+rt: 26.546
+Class: Unknown
+rt.sd: 0.0025
+Num Peaks: 60
+ 33  3190;  36  2157;  37  34912;  38  84760;  39  481600;
+ 40  120640;  41  529984;  42  236608;  43  278784;  44  32992;
+ 45  97512;  46  5979;  47  8652;  49  10603;  50  58488;
+ 51  87648;  52  35960;  53  84160;  54  27776;  55  256192;
+ 56  78720;  57  27384;  58  46680;  59  3982;  61  25072;
+ 62  40008;  63  64536;  64  16117;  65  200256;  66  258688;
+ 67  431680;  68  56176;  69  148288;  70  82096;  71  41056;
+ 72  2862;  77  6989;  78  1293;  79  32568;  80  2950;
+ 81  9911;  82  14707;  83  45944;  84  51584;  85  4913;
+ 86  1722;  92  1862;  93  14284;  94  15111;  95  54368;
+ 97  862592;  98  107328;  99  331648;  100  23656;  101  2449;
+ 110  2377;  111  53768;  112  409600;  113  29776;  114  2942;
+
+Name: Unknown 6
+DB.idx: -6
+rt: 23.158
+Class: Unknown
+rt.sd: 0.0035
+Num Peaks: 33
+ 37  3709;  38  9334;  39  84024;  40  11251;  41  150592;
+ 42  93848;  43  101920;  44  11079;  45  123480;  46  5126;
+ 47  3737;  49  1890;  50  8897;  51  9698;  52  3186;
+ 53  14335;  54  5375;  55  101248;  56  53168;  57  25432;
+ 59  11406;  60  799488;  61  38376;  62  3749;  69  4646;
+ 73  301120;  74  28576;  75  2881;  82  2492;  83  5137;
+ 85  7704;  87  18536;  101  1836;
+
+Name: Unknown 7
+DB.idx: -7
+rt: 19.993
+Class: Unknown
+rt.sd: 0.0041
+Num Peaks: 27
+ 36  1394;  37  3932;  38  2945;  39  5378;  41  12047;
+ 42  33232;  43  26448;  44  15855;  45  362368;  46  32080;
+ 47  19056;  52  2998;  53  16480;  54  4117;  55  106752;
+ 56  92184;  57  185152;  58  7053;  59  4947;  73  265024;
+ 74  395264;  75  16339;  76  1841;  82  2631;  98  2957;
+ 111  2197;  125  875;
+
+Name: Unknown 8
+DB.idx: -8
+rt: 4.668
+Class: Unknown
+rt.sd: 0.0045
+Num Peaks: 22
+ 39  14553;  41  74752;  43  64768;  53  5585;  54  1279;
+ 55  28176;  56  46888;  57  436096;  58  19080;  67  2983;
+ 69  7267;  70  16105;  83  10388;  84  2162;  85  8550;
+ 97  4523;  98  12271;  99  59848;  100  4446;  112  9866;
+ 113  24632;  114  2411;
+
+Name: Unknown 9
+DB.idx: -9
+rt: 28.9
+Class: Unknown
+rt.sd: 0.0016
+Num Peaks: 80
+ 38  2041;  39  21824;  40  3862;  41  26680;  50  5168;
+ 51  17928;  52  12583;  53  21744;  54  7217;  55  16912;
+ 62  3197;  63  10232;  64  3595;  65  19320;  66  7181;
+ 67  8744;  69  4683;  75  3127;  76  4791;  77  47392;
+ 78  18208;  79  21400;  80  3712;  81  6606;  82  6700;
+ 89  7684;  90  2474;  91  45592;  92  5991;  93  8375;
+ 94  8681;  95  4980;  102  3471;  103  15319;  104  8129;
+ 105  18232;  106  5607;  107  19808;  108  6860;  109  13748;
+ 110  8791;  111  963;  115  22480;  116  7709;  117  6544;
+ 118  2203;  119  4681;  120  2054;  121  11480;  122  14465;
+ 123  8295;  124  27224;  125  16150;  126  1652;  127  1341;
+ 128  2019;  129  1177;  131  10627;  132  6478;  133  7281;
+ 134  3523;  135  7740;  136  4765;  137  226240;  138  21248;
+ 139  3045;  145  1201;  146  1113;  147  3094;  148  2810;
+ 149  13988;  150  16373;  151  4172;  163  1728;  165  298048;
+ 166  33056;  167  3162;  180  146368;  181  17360;  182  1672;
+
+Name: Unknown 10
+DB.idx: -10
+rt: 2.849
+Class: Unknown
+rt.sd: 0.0029
+Num Peaks: 25
+ 37  6048;  38  14298;  39  118144;  40  16536;  41  272000;
+ 42  57408;  43  213120;  44  295360;  45  36480;  46  1465;
+ 49  1726;  50  8025;  51  7541;  52  1880;  53  14046;
+ 54  1655;  58  147968;  59  5947;  67  4409;  68  4135;
+ 69  4425;  71  56200;  72  3186;  85  3215;  86  11936;
+
+Name: Unknown 11
+DB.idx: -11
+rt: 6.723
+Class: Unknown
+rt.sd: 0.0018
+Num Peaks: 35
+ 37  2210;  38  6017;  39  72816;  40  13461;  41  186560;
+ 42  37888;  43  141184;  44  222336;  45  44008;  46  1502;
+ 50  3882;  51  5965;  52  1842;  53  11405;  54  7642;
+ 55  46736;  56  193536;  57  144448;  58  22184;  62  894;
+ 63  1293;  65  1737;  67  25712;  68  2222;  69  4923;
+ 70  4926;  71  26440;  72  44704;  79  1104;  81  4034;
+ 82  33808;  83  4260;  99  1780;  147  484;  191  902;
+
+Name: Unknown 12
+DB.idx: -12
+rt: 1.953
+Class: Unknown
+rt.sd: 0.0065
+Num Peaks: 8
+ 37  3720;  38  5789;  39  28424;  41  73920;  42  13373;
+ 43  158848;  58  35848;  72  40080;
+
+Name: Unknown 13
+DB.idx: -13
+rt: 4.782
+Class: Unknown
+rt.sd: 0.0023
+Num Peaks: 7
+ 41  34368;  43  42432;  56  27320;  57  150336;  58  7013;
+ 83  4728;  85  9035;
+
+Name: Unknown 14
+DB.idx: -14
+rt: 10.588
+Class: Unknown
+rt.sd: 0.0026
+Num Peaks: 31
+ 39  11544;  41  60000;  42  17360;  43  118936;  53  3634;
+ 54  2904;  55  27056;  56  25136;  57  146624;  58  6761;
+ 67  2310;  68  1512;  69  10129;  70  16792;  71  70264;
+ 72  3728;  82  1182;  83  5513;  84  9898;  85  42608;
+ 86  3062;  97  2717;  98  7717;  99  7089;  112  4919;
+ 113  3748;  126  2028;  127  2674;  140  825;  141  1301;
+ 170  3720;
+
+Name: Unknown 15
+DB.idx: -15
+rt: 7.992
+Class: Unknown
+rt.sd: 0.0021
+Num Peaks: 23
+ 38  1736;  39  9039;  50  5693;  51  14189;  52  4416;
+ 62  2017;  63  6048;  64  1123;  65  11223;  75  1482;
+ 76  1558;  77  11177;  78  9765;  79  5194;  89  3770;
+ 91  132032;  92  10149;  102  1284;  103  4419;  104  1544;
+ 105  6776;  106  43264;  107  3804;
+
+Name: Unknown 16
+DB.idx: -16
+rt: 16.683
+Class: Unknown
+rt.sd: 0.0037
+Num Peaks: 35
+ 39  14772;  41  68560;  43  134464;  53  5514;  55  58504;
+ 56  28656;  57  159168;  58  7931;  67  3523;  68  4232;
+ 69  15488;  70  17608;  71  89072;  72  5441;  82  2901;
+ 83  8639;  84  10619;  85  56416;  86  3768;  97  8520;
+ 98  8715;  99  12452;  111  12220;  112  6225;  113  5442;
+ 119  1376;  126  5067;  127  3392;  140  2307;  141  2569;
+ 154  950;  155  1577;  168  472;  169  708;  198  3045;
+
+Name: Unknown 17
+DB.idx: -17
+rt: 16.38
+Class: Unknown
+rt.sd: 0.0029
+Num Peaks: 40
+ 39  34160;  40  6138;  41  109448;  42  33496;  43  83496;
+ 44  69088;  45  19776;  51  2691;  52  1221;  53  9752;
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+Name: Unknown 18
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+Name: Unknown 19
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+Name: Unknown 20
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+Class: Unknown
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+Name: Unknown 21
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+Name: Unknown 22
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+Name: Unknown 23
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+Name: Unknown 24
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+Name: Unknown 25
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+Name: Unknown 26
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+Name: Unknown 27
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+Name: Unknown 28
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+Name: Unknown 29
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+Name: Unknown 30
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+Name: Unknown 31
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+Name: Unknown 32
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+Name: Unknown 33
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+Name: Unknown 34
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+Name: Unknown 35
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+Name: Unknown 36
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+Name: Unknown 37
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+Name: Unknown 38
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+Name: Unknown 39
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+Name: Unknown 40
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+Name: Unknown 41
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+Name: Unknown 42
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+Name: Unknown 43
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+Name: Unknown 44
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+Name: Unknown 45
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+Name: Unknown 46
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+Name: Unknown 47
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+Name: Unknown 48
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+Name: Unknown 49
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+Name: Unknown 51
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+Name: Unknown 52
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+Name: Unknown 53
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+Name: Unknown 56
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+Name: Unknown 57
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+Name: Unknown 59
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+Name: Unknown 61
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+Name: Unknown 62
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+Name: Unknown 64
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+Name: Unknown 65
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+Name: Unknown 66
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+Name: Unknown 67
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+Name: Unknown 68
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+Name: Unknown 69
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+
+Name: Unknown 70
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+Class: Unknown
+rt.sd: 0
+Num Peaks: 6
+ 67  2898;  68  3171;  79  1643;  80  535;  93  2551;
+ 121  693;
+
+Name: Unknown 71
+DB.idx: -71
+rt: 23.375
+Class: Unknown
+rt.sd: 0.0077
+Num Peaks: 10
+ 42  19992;  43  41728;  44  60024;  54  2760;  55  14966;
+ 59  55880;  83  29088;  84  5062;  104  3340;  111  1799;
+
+Name: Unknown 72
+DB.idx: -72
+rt: 19.431
+Class: Unknown
+rt.sd: 0.0046
+Num Peaks: 8
+ 43  37792;  55  8653;  59  3950;  71  8231;  87  9385;
+ 88  16616;  116  5629;  152  1533;
+
+Name: Unknown 73
+DB.idx: -73
+rt: 18.89
+Class: Unknown
+rt.sd: 0.0019
+Num Peaks: 10
+ 39  6634;  51  2112;  53  5332;  65  1901;  67  3706;
+ 68  2446;  79  2948;  81  21480;  82  2063;  110  3070;
+
+Name: Unknown 74
+DB.idx: -74
+rt: 16.621
+Class: Unknown
+rt.sd: 0.0046
+Num Peaks: 6
+ 42  16992;  52  1363;  80  1094;  81  3657;  121  3035;
+ 122  15381;
+
+Name: Unknown 75
+DB.idx: -75
+rt: 4.871
+Class: Unknown
+rt.sd: 0.0043
+Num Peaks: 8
+ 77  1933;  79  1479;  80  696;  91  2494;  92  2563;
+ 93  6290;  97  1340;  121  687;
+
+Name: Unknown 76
+DB.idx: -76
+rt: 26.543
+Class: Unknown
+rt.sd: 0.0042
+Num Peaks: 27
+ 34  873;  37  5160;  38  10876;  39  75120;  40  23392;
+ 41  168000;  42  216640;  43  194240;  44  19136;  49  1081;
+ 50  5031;  51  6820;  52  6564;  53  11846;  54  16062;
+ 55  113368;  56  45456;  58  20848;  68  8387;  70  70072;
+ 71  32624;  81  2986;  82  6637;  98  66552;  99  358784;
+ 100  22944;  101  1811;
+
+Name: Unknown 77
+DB.idx: -77
+rt: 21.336
+Class: Unknown
+rt.sd: 0.0052
+Num Peaks: 57
+ 37  1762;  38  4149;  39  45912;  40  10100;  41  101384;
+ 42  24760;  43  188608;  44  11271;  45  14933;  49  1024;
+ 50  4455;  51  6470;  52  2867;  53  18296;  54  8838;
+ 55  58168;  56  122136;  57  50072;  58  99160;  59  14146;
+ 63  1062;  65  3140;  66  1321;  67  15114;  68  17552;
+ 69  37416;  70  22688;  71  226624;  72  20648;  77  3079;
+ 79  3851;  80  913;  81  11450;  82  6495;  83  3289;
+ 84  28784;  85  80680;  86  8077;  87  7288;  93  2543;
+ 95  116288;  96  9813;  97  18256;  99  4363;  100  6846;
+ 109  2516;  110  66224;  111  7536;  112  2475;  113  10898;
+ 114  832;  123  1617;  125  1099;  128  44704;  129  3917;
+ 140  733;  156  3370;
+
+Name: Unknown 78
+DB.idx: -78
+rt: 1.539
+Class: Unknown
+rt.sd: 0.0027
+Num Peaks: 5
+ 41  18320;  42  30264;  43  96280;  44  175872;  71  5191;
+
+Name: Unknown 79
+DB.idx: -79
+rt: 3.856
+Class: Unknown
+rt.sd: 0.005
+Num Peaks: 19
+ 37  1496;  38  3323;  39  25816;  40  4451;  41  58112;
+ 42  18944;  44  131200;  45  17200;  50  2820;  51  2634;
+ 52  909;  53  4564;  55  9369;  57  56040;  58  51176;
+ 67  2231;  68  1267;  71  4428;  85  2075;
+
+Name: Unknown 80
+DB.idx: -80
+rt: 9.59
+Class: Unknown
+rt.sd: 0
+Num Peaks: 9
+ 38  1147;  39  7072;  50  915;  53  3684;  57  91800;
+ 58  4287;  59  2754;  67  2405;  68  2017;
+
+Name: Unknown 81
+DB.idx: -81
+rt: 1.835
+Class: Unknown
+rt.sd: 0.0027
+Num Peaks: 5
+ 37  3251;  38  3725;  57  26000;  58  91472;  59  3480;
+
+Name: Unknown 82
+DB.idx: -82
+rt: 25.149
+Class: Unknown
+rt.sd: 0.0059
+Num Peaks: 55
+ 39  13048;  41  26008;  43  52064;  51  5166;  52  2079;
+ 53  6989;  55  18096;  60  42016;  61  5468;  63  2229;
+ 65  4990;  67  4048;  68  1801;  69  7099;  70  5910;
+ 71  6618;  73  24528;  77  13327;  78  3002;  79  13280;
+ 80  1774;  81  4542;  83  2732;  84  2345;  87  10928;
+ 88  5885;  91  14913;  93  9365;  95  7327;  96  1669;
+ 101  3775;  102  694;  105  8665;  107  11170;  109  4780;
+ 115  3417;  116  1690;  119  5552;  121  7269;  122  5696;
+ 129  1682;  131  2352;  133  5886;  134  1347;  135  10330;
+ 136  2725;  144  1203;  147  1465;  149  5619;  159  3219;
+ 162  2148;  163  737;  177  72744;  178  9094;  192  2312;
+
+Name: Unknown 83
+DB.idx: -83
+rt: 24.011
+Class: Unknown
+rt.sd: 0.0055
+Num Peaks: 16
+ 53  4710;  65  1762;  66  3244;  67  6272;  79  3060;
+ 80  899;  81  15255;  82  2946;  95  29704;  96  3518;
+ 97  4416;  98  5238;  104  1486;  111  3146;  123  1175;
+ 154  636;
+
+Name: Unknown 84
+DB.idx: -84
+rt: 25.326
+Class: Unknown
+rt.sd: 0.0043
+Num Peaks: 16
+ 38  2086;  39  7881;  52  2800;  53  4601;  55  11121;
+ 66  11622;  69  3875;  71  9009;  80  1160;  84  4865;
+ 94  22680;  97  5436;  109  17560;  111  2595;  126  20216;
+ 127  1557;
+
+Name: Unknown 85
+DB.idx: -85
+rt: 21.652
+Class: Unknown
+rt.sd: 0.0059
+Num Peaks: 17
+ 65  2127;  67  7430;  77  3782;  79  4142;  81  7575;
+ 91  4626;  93  2850;  94  1628;  95  4707;  107  3144;
+ 109  8172;  119  2064;  123  7560;  137  9572;  151  1039;
+ 152  8226;  153  922;
+
+Name: Unknown 86
+DB.idx: -86
+rt: 8.182
+Class: Unknown
+rt.sd: 0.0051
+Num Peaks: 5
+ 39  6052;  53  2158;  55  9398;  83  4878;  84  3889;
+
+Name: Unknown 87
+DB.idx: -87
+rt: 16.837
+Class: Unknown
+rt.sd: 0
+Num Peaks: 8
+ 65  1470;  66  1131;  67  7522;  93  763;  95  4282;
+ 96  911;  109  1473;  124  2052;
+
+Name: Unknown 88
+DB.idx: -88
+rt: 5.355
+Class: Unknown
+rt.sd: 0.006
+Num Peaks: 6
+ 38  1373;  39  7330;  63  771;  65  1045;  91  7439;
+ 92  4675;
+
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/input01_peakspectra_test.msp	Mon Dec 05 08:32:04 2016 -0500
@@ -0,0 +1,45 @@
+Name: Unknown 1
+DB.idx: -9
+rt: 24.53
+Class: Unknown
+rt.sd: 0.01
+Num Peaks: 19
+ 73.0465  57.7027030289;    74.0481  4.8855062564;    75.0319  4.847663826;    100.0573  2.6149715972;   103.0227 3.004109143;
+ 116.0884 100;   117.0905 10.6040602224;   118.0869 3.7054420297;   128.0526 1.8423908372;   131.0359 1.5802234196;
+ 133.0438 1.5449256807;   147.0666 17.8266754868;   148.066 3.4863501617;   149.0551 2.6348672192;   190.1069 5.0634427805;
+ 191.1063 1.257158541;   192.1023 0.4508018332;   207.0333 2.4725309728;   218.1028 2.1301461153;
+
+Name: Histidine
+DB.idx: -1
+rt: 10.58
+Class: Unknown
+rt.sd: 0.003
+Num Peaks: 32
+39.022 16;  41.038 38;  41.039 12;  42.034 11;  43.041 7;
+54.034 169;  55.042 104;  56.049 999;  56.05 9;  66.032 166;
+66.033 34;  67.04 16;  68.048 86;  68.049 13;  69.044 41;
+81.044 469;  82.052 695;  83.059 999;  93.044 606;  95.06 112;
+110.07 999;  111.054 16;  112.086 2;  138.065 2;  156.074 999;
+
+Name: L-Alanine
+DB.idx: -1
+rt: 10.58
+Class: Unknown
+rt.sd: 0.003
+Num Peaks: 32
+73.0465  826983.38; 74.0481  70018.08; 75.0319  69475.73; 100.0573  37477.24; 103.0227  43054.28;
+116.0884  1433179.62; 117.0905  151975.23; 118.0869  53105.64; 128.0526  26404.77; 131.0359  22647.44;
+133.0438  22141.56; 147.0666  255488.28; 48.066  49965.66; 149.0551  37762.38; 190.1069  72568.23;
+191.1063  18017.34; 192.1023  6460.8; 207.0333  35435.81; 218.1028  30528.82;
+
+Name: L-Leucine
+DB.idx: -1
+rt: 10.58
+Class: Unknown
+rt.sd: 0.003
+Num Peaks: 32
+59.0317  111211.31; 73.0465  1904156.25; 73.0887  176802.89; 74.0478  172098.67; 75.034  126044.58;
+100.0578  148105.59; 102.0732  557823.12; 103.0737  58556.5; 116.0893  113683.96; 131.0348  50693.96;
+133.0477  79174.27; 142.1041  51780.19; 147.0656  486292; 148.0669  84540.63; 149.0594  53340.05;
+158.1362  4905104; 159.1367  769335.25; 159.1838  164298.34; 160.1347  213437.45; 170.0993  56866.69;
+218.1033  189619.22; 232.155  215419.53; 233.1535  69567.91; 260.1492  87687.36;
\ No newline at end of file
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/input03_peakspectra_full.msp	Mon Dec 05 08:32:04 2016 -0500
@@ -0,0 +1,3757 @@
+Name: Unknown 1
+DB.idx: -1
+rt: 10.58
+Class: Unknown
+rt.sd: 0.003
+Num Peaks: 160
+ 55  40314.09;  57  39666.66;  58  117253;  59  677577.6;  60  56097.84;
+ 61  173955.5;  62  11853.13;  63  19465.01;  66  37117.49;  70  85974.89;
+ 71  135751.7;  72  173308.6;  73  5335904;  74  1773116;  75  1130890;
+ 76  47236.83;  77  233307.3;  78  15697.65;  79  29390.93;  83  13286.93;
+ 85  80810.94;  87  91606.72;  88  10340.81;  91  57229.14;  93  20851.29;
+ 96  16237.26;  97  8766.646;  103  398350.4;  104  68853.35;  105  201451.8;
+ 106  25043.94;  107  131979.1;  108  11708.79;  109  27774.11;  112  14260.24;
+ 113  69933.57;  114  11544.05;  115  994961.7;  116  138815.4;  118  111185.6;
+ 119  465199.8;  120  75950.29;  121  387381.6;  122  34006.61;  123  124406.5;
+ 124  9676.763;  126  42647.79;  131  1217735;  132  195872.2;  133  2353792;
+ 134  439221.1;  135  1294353;  136  170966;  137  480564.7;  138  54602.24;
+ 139  37958.8;  143  16718.33;  145  100214.3;  146  15950;  147  3649214;
+ 148  807123.6;  149  521549.1;  150  60887.41;  151  1657276;  152  179564;
+ 153  108396.2;  161  60145.87;  162  11348.56;  163  248920.8;  164  48565.58;
+ 165  340817.3;  166  55741.57;  167  150228.6;  168  18083.43;  169  13815.75;
+ 175  65379.76;  176  59587.9;  177  324377.7;  178  76562.77;  179  298168.2;
+ 180  54267.2;  181  717115.2;  182  97851.98;  183  248922.2;  184  30285.29;
+ 185  19109.6;  189  987185.2;  190  214684.8;  191  2699204;  192  739378.4;
+ 193  2445972;  194  584608.1;  195  558411.3;  196  80516.16;  197  144499.9;
+ 198  19412.17;  199  11822.63;  205  1511283;  206  316598.7;  207  3009868;
+ 208  942554;  209  786295.1;  210  135996.4;  211  2270410;  212  428942.7;
+ 213  235514.7;  214  22584.48;  221  692183.1;  222  158001.2;  223  94198.75;
+ 224  21684.31;  225  2950784;  226  754932.4;  227  1010403;  228  156790.7;
+ 229  76590.65;  237  25770.03;  239  81222.09;  240  15526.31;  241  16938.92;
+ 252  39808.12;  253  356191.5;  254  78516.85;  255  380827.9;  256  78121.55;
+ 257  45404.27;  266  11011.84;  267  606684.1;  268  155373.1;  269  616047.6;
+ 270  133622;  271  74292.19;  272  12069.44;  282  14274.69;  283  3516256;
+ 284  1468884;  285  875615.8;  286  155002.1;  287  43266.43;  295  6946.443;
+ 297  24340.22;  298  621608.8;  299  7373908;  300  5241822;  301  4332284;
+ 302  1955755;  303  608978;  304  82828.24;  311  8346.149;  313  209749.8;
+ 314  4568441;  315  2678491;  316  1750448;  317  353801.2;  318  93147.38;
+ 373  7971.866;  386  8840.255;  387  41685.39;  388  13870.91;  389  7984.017;
+
+Name: Unknown 2
+DB.idx: -2
+rt: 10.01
+Class: Unknown
+rt.sd: 0.0043
+Num Peaks: 88
+ 51  16703.25;  52  380867.6;  53  30163.21;  55  24586;  56  57029.79;
+ 57  43294.02;  58  100856.6;  59  547872.3;  60  143714.9;  61  127264.6;
+ 62  10866.54;  64  39271.45;  65  217460.8;  66  1439916;  67  119270.2;
+ 69  194498.4;  70  212451.6;  71  202159.5;  72  324006.9;  73  3794744;
+ 74  1691253;  75  1167727;  76  106912.9;  78  10671.04;  79  943499.4;
+ 80  82785.07;  84  16757.22;  85  161240.7;  86  85479.57;  87  711852.6;
+ 88  84652.09;  89  35860.14;  90  88682.02;  91  9738.906;  96  14737.86;
+ 98  15395.02;  99  1094075;  100  571740.3;  101  209874.3;  102  98311.56;
+ 103  205119.2;  104  31715.82;  106  17008.92;  113  247468.8;  114  144721.3;
+ 115  514764.7;  116  190587.5;  117  246094.2;  118  77297.08;  119  59302.23;
+ 120  8981.871;  127  43197.05;  130  1997238;  131  1739692;  132  1344230;
+ 133  653444;  134  117292.5;  139  27881.55;  140  8072.469;  141  9566.898;
+ 143  44248.63;  146  2075065;  147  7306894;  148  4217708;  149  2712131;
+ 150  324295.4;  151  82001.02;  155  22129;  156  45726.4;  157  453799.7;
+ 158  71340.59;  159  66603.2;  171  1297166;  172  236051.3;  173  2392999;
+ 174  418304.5;  175  204766.8;  176  22869.09;  188  46616.42;  189  6516182;
+ 190  2993190;  191  1521136;  192  180280;  193  35819.54;  204  233586;
+ 205  47698.42;  206  20693.09;  261  10577.43;
+
+Name: Unknown 3
+DB.idx: -3
+rt: 7.313
+Class: Unknown
+rt.sd: 0.0029
+Num Peaks: 101
+ 51  42750.93;  52  1025838;  53  86530.71;  55  196456.5;  56  18800.46;
+ 57  93879.41;  58  505420.9;  59  1679327;  60  157994.8;  61  546446.8;
+ 62  35616.02;  63  19409.39;  65  16275.08;  66  3027299;  67  445668.3;
+ 68  18992.19;  70  213213.4;  71  216764.2;  72  715970.2;  73  6834824;
+ 74  3399371;  75  2971901;  76  298777.3;  77  164975.7;  80  42226.58;
+ 83  15302.38;  85  92162.77;  86  53559.22;  87  384494.5;  88  1564165;
+ 89  165859;  90  9247.229;  91  34426.75;  94  207444.3;  95  70690.09;
+ 97  10254.63;  99  75537.69;  101  916140;  102  243136.1;  103  513280.5;
+ 104  68468.77;  105  276402.8;  106  31803.74;  107  22613.68;  113  126415.5;
+ 114  19488.36;  115  803883.9;  116  156066.2;  117  5857676;  118  2769220;
+ 119  1306235;  120  83648.55;  121  13607.91;  129  1125112;  130  140583;
+ 131  2503998;  132  468547.8;  133  2740407;  134  531849.6;  135  284145;
+ 136  24168.53;  143  47468.67;  145  28005.67;  146  14408.39;  147  6951534;
+ 148  4359822;  149  3614727;  150  687263.9;  151  206463.4;  152  18166.45;
+ 159  29044.2;  163  56206.87;  164  10364.24;  175  1157058;  176  199145.6;
+ 177  98909.3;  178  11903.2;  190  4370774;  191  4483992;  192  2227634;
+ 193  955862;  194  120134.9;  195  23127.99;  203  676590.9;  204  127590.1;
+ 205  61858.45;  207  648665.7;  208  134963.2;  209  82395.32;  219  2341049;
+ 220  547041.8;  221  253571.4;  222  33657.27;  233  20839.98;  234  8492.729;
+ 247  14206.84;  279  16968.04;  295  122069.8;  296  37243.18;  307  42926.46;
+ 381  11955.62;
+
+Name: Unknown 4
+DB.idx: -4
+rt: 8.256
+Class: Unknown
+rt.sd: 0.0013
+Num Peaks: 160
+ 51  15544.25;  52  16803.63;  55  53441.07;  56  33678.51;  57  54633.73;
+ 58  298804;  59  1688556;  60  290890.5;  61  200035.8;  62  31364.61;
+ 63  325610.8;  64  28198.39;  65  35804.7;  66  113370.7;  69  225895.6;
+ 70  149444.8;  71  119516.3;  72  612144.1;  73  6824414;  74  2992777;
+ 75  2947758;  76  328948.3;  77  3068195;  78  331168.2;  79  216143.3;
+ 80  14807.95;  81  640054.4;  82  25732.32;  83  18379.38;  84  38440.6;
+ 85  78381.27;  86  108955;  87  41567.7;  88  102278.1;  89  2533617;
+ 90  277669.8;  91  979516.8;  92  41237.56;  93  158281.3;  94  43795.83;
+ 95  210368.7;  96  242002.4;  97  13259.59;  98  12561.19;  99  370973;
+ 100  180365.3;  101  54351.18;  102  47535.65;  103  297040.5;  104  437640.7;
+ 105  70364.29;  106  27676.12;  107  36210.15;  108  19554.94;  109  50199.33;
+ 110  17158.08;  113  367847.4;  114  51187.64;  115  113682.6;  116  5027428;
+ 117  1220536;  118  518696.4;  119  482606.8;  120  628550.4;  121  72000.41;
+ 122  71569.77;  123  369282.1;  124  206758.1;  125  21604.95;  126  18394.58;
+ 127  13939.48;  130  401983;  131  601119.2;  132  225705.3;  133  670641.2;
+ 134  584091.2;  135  137302.4;  136  58583.5;  137  122720.7;  138  682878.9;
+ 139  284513.9;  140  45175.23;  141  65589.75;  142  615593.2;  143  81229.41;
+ 145  128954.2;  146  1190362;  147  3941121;  148  983227.2;  149  649941.5;
+ 150  125247.5;  151  555629;  152  87981.15;  153  49982.16;  154  9515.682;
+ 155  31943.46;  157  184165.2;  158  22939.12;  159  21293.77;  161  21940.57;
+ 162  50437.57;  163  286389;  164  48797.17;  165  793709.4;  166  952332.3;
+ 167  119436.9;  168  46130.29;  169  49890.19;  170  163653.8;  171  50751.48;
+ 172  46726.62;  173  34634;  175  29604.69;  176  230156;  177  88778.59;
+ 178  35563.6;  179  12437.59;  181  153184.2;  182  18371.13;  183  240456.3;
+ 184  38644.77;  185  405614.2;  186  44403.2;  187  14435.94;  188  240895.5;
+ 189  78239.02;  192  877607.7;  193  168591.4;  194  75941.66;  195  20027.38;
+ 197  18313.62;  199  1027987;  200  124777.2;  201  44061.01;  214  644915.2;
+ 215  751622.4;  216  119166.5;  235  649246.8;  236  127561.4;  237  58831.97;
+ 238  7573.286;  239  202222;  240  37528.22;  241  522758;  242  670149.8;
+ 243  138950.5;  244  56686.96;  248  10406.1;  249  103809.7;  250  21666.82;
+ 251  8921.024;  257  590330.8;  258  6094058;  259  3438753;  260  1872582;
+ 261  255746.8;  262  43484.01;  289  274997.4;  290  52693.08;  291  22786.63;
+
+Name: Unknown 5
+DB.idx: -5
+rt: 8.542
+Class: Unknown
+rt.sd: 0.0023
+Num Peaks: 98
+ 52  62081.21;  55  55697.93;  56  29796.05;  57  74211.02;  58  449316.4;
+ 59  2914959;  60  296243.8;  61  180632.2;  62  11146.02;  63  9171.936;
+ 66  172736.9;  69  29328.25;  70  702289.8;  71  131871.1;  72  1283423;
+ 73  5925624;  74  1980207;  75  1673337;  76  131963.3;  77  78464.88;
+ 79  25605.54;  85  29566.95;  86  2475704;  87  263852;  88  264453.4;
+ 89  1781250;  90  163209.4;  91  79406.7;  93  15355.21;  95  14961.13;
+ 99  66579.95;  100  2016559;  101  213483;  102  313149.1;  103  1044158;
+ 104  136739;  105  183567.2;  106  22688.55;  107  14107.1;  109  11833.23;
+ 111  9685.134;  113  112100.1;  114  40559.51;  115  492383.6;  116  129163.7;
+ 117  572686.3;  118  203110;  119  788129.2;  120  113838.8;  121  63511.86;
+ 128  12051.16;  130  344234.9;  131  2536332;  132  1243314;  133  5051706;
+ 134  1756136;  135  992748.2;  136  93252.08;  137  22684.78;  142  13439.81;
+ 144  99864.2;  145  25639.7;  146  2415738;  147  6702283;  148  3959596;
+ 149  2880516;  150  386238.2;  151  105465.9;  158  122123.9;  159  19335.6;
+ 160  2546940;  161  460173.5;  162  1344808;  163  588221.3;  164  148286.5;
+ 165  45548.63;  174  915592.2;  175  180657.1;  176  81022.59;  188  194292.2;
+ 190  2089270;  191  410252.6;  192  188284.6;  193  20345.13;  205  2565197;
+ 206  552772.7;  207  259666.5;  208  30975.44;  220  3893704;  221  1120292;
+ 222  530669.2;  223  64232.17;  224  12979;  235  3529269;  236  994855.7;
+ 237  451465.7;  238  59777.43;  239  12321.41;
+
+Name: Unknown 6
+DB.idx: -6
+rt: 23.521
+Class: Unknown
+rt.sd: 0.0018
+Num Peaks: 223
+ 54  17196.38;  55  12555.62;  57  14165.06;  58  91372.95;  59  453023.1;
+ 60  33491.5;  61  28154.47;  68  6717.676;  69  15036.68;  70  25983.37;
+ 71  27718.69;  72  115849.3;  73  6189735;  74  1696830;  75  862684.2;
+ 76  31067.67;  77  18893.72;  80  7638.121;  82  43297.32;  83  11123.12;
+ 84  143297.4;  85  23521.99;  86  8876.3;  87  46024.56;  88  28229.48;
+ 89  901667.6;  90  78950.18;  91  41701.5;  94  10321.18;  98  17193.91;
+ 99  30818.37;  100  52274.68;  101  156757.3;  102  38523.01;  103  4443581;
+ 104  677063.2;  105  268854.3;  106  15402.49;  111  26863.67;  112  8089.81;
+ 113  73604.82;  114  65360.86;  115  103037.2;  116  42477.94;  117  1095237;
+ 118  107359.8;  119  90850.45;  120  8834.361;  125  8219.727;  126  42276.83;
+ 127  32603.11;  128  58151.7;  129  1597812;  130  188016.8;  131  517555.4;
+ 132  79042.65;  133  1142121;  134  135812.6;  135  64092.46;  140  24809.35;
+ 141  25505.67;  142  239385;  143  172936;  144  32522.57;  145  129081.8;
+ 146  28233.25;  147  4276055;  148  1022030;  149  655438.4;  150  73465.73;
+ 151  31381.49;  152  14515.14;  154  25149.92;  155  10733.57;  156  25692.7;
+ 157  204962.8;  158  60928.81;  159  51842.77;  161  36892.88;  162  8970.792;
+ 163  264753.7;  164  42436.69;  165  23769.93;  166  13312.27;  168  22682.57;
+ 169  12846.35;  170  17617.41;  171  13635.76;  172  877620.6;  173  909788.9;
+ 174  179836;  175  230898.2;  176  41990.63;  177  97479.74;  178  17338.28;
+ 179  11058.94;  180  40485.34;  181  7766.083;  182  14068.9;  184  13766.65;
+ 185  10394.3;  186  89396.13;  187  34406.93;  188  98409.88;  189  1877876;
+ 190  397253.9;  191  899974.8;  192  153985.8;  193  68177.75;  194  9559.919;
+ 196  20859.02;  198  43779.15;  199  10155.81;  200  43700;  201  588447;
+ 202  303861.8;  203  180381.5;  204  588323.3;  205  876413.1;  206  192806.8;
+ 207  147581;  208  23939.3;  209  10284.54;  210  8820.345;  214  123371.4;
+ 215  37501.14;  216  222598.2;  217  6148227;  218  3416804;  219  1787542;
+ 220  269150.9;  221  269589.1;  222  61690.3;  223  31772.53;  224  6642.827;
+ 226  6942.113;  227  7886.242;  228  32698.07;  229  62967.35;  230  156119;
+ 231  425785.3;  232  116716.9;  233  56069.52;  234  12799.67;  235  77076.8;
+ 236  15773.55;  237  11344.76;  240  52410.2;  241  13528.25;  242  62972.05;
+ 243  30472.86;  244  207598.6;  245  55782.63;  246  78134.3;  247  47764.64;
+ 248  19574.67;  249  8550.04;  254  29848.69;  255  9967.014;  256  241306.7;
+ 257  60134.08;  258  28027.32;  259  15384.7;  260  112682.5;  261  50024.56;
+ 262  147828.1;  263  391356.2;  264  92134.55;  265  46151.87;  266  8488.574;
+ 268  32417.15;  269  12377.92;  270  54070.7;  271  14421.45;  272  21847.28;
+ 274  27906.43;  275  47504.13;  276  145680.8;  277  2115080;  278  646166.9;
+ 279  308885.6;  280  60880.95;  281  14156.35;  286  22931.68;  287  8611.475;
+ 288  152840.9;  289  46079.77;  290  23693.53;  291  387375.8;  292  108665.3;
+ 293  62434.42;  294  14055.75;  300  48181.16;  301  14402.25;  302  133703.9;
+ 303  78643.71;  304  42015.86;  305  119337;  306  63631.8;  307  4609250;
+ 308  2100947;  309  1105231;  310  223412;  311  53409.84;  312  7981.965;
+ 314  14974.78;  316  10124.88;  317  7196.376;  318  146326.3;  319  104374;
+ 320  42257.07;  328  27561.26;  329  9145.691;  330  140159.7;  331  42538.47;
+ 332  82015.92;  333  184341.4;  334  327838.1;  335  397216.5;  336  133557.5;
+ 569  64584.29;  570  33215.11;  571  18131.62;
+
+Name: Unknown 7
+DB.idx: -7
+rt: 23.782
+Class: Unknown
+rt.sd: 0.002
+Num Peaks: 223
+ 54  16538.67;  57  8611.748;  58  51372.88;  59  298368.2;  60  22916.16;
+ 61  15434.57;  70  14863.16;  71  9441.459;  72  60990.21;  73  6028811;
+ 74  1049537;  75  537009.6;  76  21675.44;  80  7464.67;  81  7494.025;
+ 82  65971.57;  84  76120.56;  85  14041.34;  87  21640.61;  88  14466.73;
+ 89  652583.8;  90  54023.49;  91  25769.93;  98  9956.599;  99  21065.51;
+ 100  56880.62;  101  101638.8;  102  25876.86;  103  3433002;  104  402380.4;
+ 105  185898.8;  106  14750.06;  110  11624.45;  111  20855.94;  113  62266.18;
+ 114  49041.55;  115  63069.04;  116  26577.44;  117  659478.4;  118  63281.06;
+ 119  56104.62;  126  23392.89;  127  27256.25;  128  41434.31;  129  1141911;
+ 130  130380.2;  131  334837.1;  132  51104.71;  133  497877.3;  134  69964.59;
+ 135  38851.64;  140  15091.34;  141  18661.87;  142  179092.6;  143  110735.7;
+ 144  23175.63;  145  74939.36;  146  13167.14;  147  3688670;  148  709787.2;
+ 149  452770.1;  150  50145.02;  151  22646.28;  152  13455.88;  154  18728.18;
+ 155  10825.12;  156  37090.22;  163  128521.3;  164  20082.37;  165  12361.42;
+ 166  14298.62;  168  30463.47;  169  13007.64;  170  51517.65;  171  14385.65;
+ 172  294484.1;  173  523475.6;  174  98828.24;  175  145960.6;  176  29336.64;
+ 177  38109.07;  178  8102.534;  180  32215.91;  181  8048.562;  182  16074.02;
+ 184  7967.816;  186  52458.23;  187  17986.83;  188  39105.4;  189  1007293;
+ 190  205728.2;  191  581415.8;  192  100664.9;  193  43680.58;  194  7864.015;
+ 196  37124.7;  197  9074.157;  198  107243.8;  199  16947.04;  200  27762.16;
+ 201  346560;  202  222344.7;  203  91136.27;  204  353781.8;  214  52131.48;
+ 215  23650.64;  216  114410;  217  6141466;  218  2589126;  219  1217804;
+ 220  168925.6;  221  194724;  222  44491.37;  223  22954.98;  228  26857.03;
+ 230  76141.59;  231  243941.8;  232  75416.27;  233  29373.01;  240  35722.21;
+ 241  10439.21;  242  26722.67;  243  31636.82;  244  209753.9;  245  104287.8;
+ 246  53570.27;  247  19904.41;  254  25049.46;  255  11013.72;  256  83605.45;
+ 257  22463.85;  260  44124.13;  261  15960.91;  262  558168.7;  263  332656.2;
+ 264  94171.55;  265  38341.07;  266  8510.17;  268  65036.29;  269  27901.09;
+ 270  46761.29;  271  12353.04;  272  29360.75;  275  26537.79;  276  56642.39;
+ 277  1422654;  278  411860;  279  195285.8;  280  39465.12;  281  9398.073;
+ 286  20771.7;  288  71295.41;  289  20194.79;  290  13665.71;  291  140192;
+ 292  39990.54;  293  19395.04;  300  77443.56;  301  18547.25;  302  53841.72;
+ 303  30027.45;  304  21798.92;  305  77839.84;  306  47205.17;  307  4063688;
+ 308  1452719;  309  739704;  310  146790.1;  311  34491.49;  314  9489.896;
+ 316  9351.634;  317  13367.72;  318  70088.02;  328  19564.3;  330  87616.63;
+ 331  28208.32;  332  36448.56;  333  180348.2;  334  192836.3;  335  233758;
+ 336  115683.5;  337  40684.62;  338  12683.89;  342  28168.5;  343  16352.28;
+ 344  42260.92;  345  23958.28;  346  15555.43;  350  101598.9;  351  29652.43;
+ 352  16409.9;  358  68397.96;  359  42462.54;  360  23050.96;  361  8604.764;
+ 364  1059178;  365  344232.5;  366  159476.9;  367  34864.41;  368  8842.32;
+ 374  19891.9;  376  105706.5;  377  33760.78;  378  16728.99;  389  7549.948;
+ 390  71200.85;  391  26716.26;  392  17813.89;  393  9473.643;  402  21018.48;
+ 403  8707.979;  404  13809.05;  405  7154.414;  420  17581.73;  421  7120.15;
+ 432  89051.77;  433  65785.3;  434  49555.45;  435  21106.96;  436  8931.001;
+ 448  31342.1;  449  13640.21;  450  8148.171;
+
+Name: Unknown 8
+DB.idx: -8
+rt: 22.001
+Class: Unknown
+rt.sd: 0.0063
+Num Peaks: 6
+ 73  4908673;  147  5025522;  273  5942964;  274  3752779;  347  3843372;
+ 375  3656316;
+
+Name: Unknown 9
+DB.idx: -9
+rt: 24.53
+Class: Unknown
+rt.sd: 0.01
+Num Peaks: 9
+ 73  5764652;  147  5244020;  157  3561241;  160  3454586;  205  4437872;
+ 217  3601276;  272  30900.41;  319  5352581;  320  3587208;
+
+Name: Unknown 10
+DB.idx: -10
+rt: 24.096
+Class: Unknown
+rt.sd: 0.007
+Num Peaks: 9
+ 73  5551756;  129  3361335;  147  5231997;  157  3641748;  160  3947240;
+ 205  4374348;  217  3683153;  319  5377373;  320  3621938;
+
+Name: Unknown 11
+DB.idx: -11
+rt: 30.857
+Class: Unknown
+rt.sd: 0.0019
+Num Peaks: 162
+ 55  209163.9;  56  27955.88;  57  81435.67;  58  27918.52;  59  45788.46;
+ 60  20037.37;  61  122152;  62  7999.333;  65  8959.052;  67  193397.5;
+ 68  24896.96;  69  257737.7;  70  27601.1;  71  47714.89;  72  117711.8;
+ 73  2497190;  74  227761.7;  75  2638229;  76  205146.2;  77  117064.3;
+ 79  86628.33;  80  12420.91;  81  245371.4;  82  29471.26;  83  166600.9;
+ 84  73313.11;  85  101048.6;  86  30447.95;  87  10812.81;  88  12533.62;
+ 89  49911.68;  91  25883.69;  93  75087.73;  94  10671.81;  95  245241.5;
+ 96  28357.49;  97  117408.5;  98  198309.9;  99  81239.8;  101  24044.45;
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+ 122  6664.426;  123  34472.55;  124  5767.453;  125  28206.88;  126  15032.88;
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+ 145  808069.8;  146  106724.9;  153  22051.65;  154  33487.31;  155  7961.481;
+ 157  48423.18;  159  127870.2;  163  13441.13;  167  30242.48;  168  20679.56;
+ 171  169185;  172  26802.85;  173  49931.98;  174  21631.62;  177  8363.178;
+ 181  18353.83;  182  9109.021;  185  364326.2;  186  52050.02;  187  132856.3;
+ 188  44164.41;  195  8732.531;  196  10386.77;  199  65223.74;  200  11456.51;
+ 201  417110.7;  202  73589.29;  203  21238.41;  209  12334;  210  19186.25;
+ 213  44156.17;  214  8948.098;  215  98182.21;  216  21433.18;  223  64089.79;
+ 224  14225.45;  227  81146.63;  228  15723.92;  229  56398.21;  230  19038;
+ 237  15073.93;  241  112647.8;  242  21311.26;  243  116369.1;  244  37862.24;
+ 245  10336.24;  247  10973.01;  255  70293.99;  256  16005.25;  257  231125.3;
+ 258  52503.98;  259  13751.73;  265  8957.13;  266  14089.55;  269  36357.32;
+ 270  8762.52;  271  104425.3;  272  23672.12;  283  51033.64;  284  11000.26;
+ 285  52722.37;  286  13549.35;  297  193236.2;  298  45806.18;  299  94487.06;
+ 300  24623.71;  311  51010.91;  312  13802.65;  313  258115.5;  314  63774.56;
+ 315  18283.11;  325  18237.29;  327  49421.9;  328  13799.44;  339  12591.33;
+ 340  33512.7;  341  3629600;  342  1131953;  343  296295.9;  344  48265.02;
+ 355  21033.21;  356  408272.9;  357  117149.7;  358  30165.79;  359  179121.8;
+ 360  48405.46;  361  12059.81;
+
+Name: Unknown 12
+DB.idx: -12
+rt: 14.951
+Class: Unknown
+rt.sd: 0.0019
+Num Peaks: 62
+ 55  6812.075;  58  40120.12;  59  48124.42;  61  23162.41;  66  27562.85;
+ 70  12228.93;  71  9582.086;  72  33534.97;  73  2695540;  74  241505.2;
+ 75  182684.8;  76  13563.7;  80  7941.821;  84  38107.15;  85  11705.11;
+ 86  19974.66;  93  23651.14;  98  9006.365;  99  10465.29;  100  25758.25;
+ 108  25875.4;  110  10586.18;  112  59483.74;  113  10844.73;  114  27221.58;
+ 115  16470.08;  122  56597.94;  127  7154.637;  131  82997.43;  132  17023.02;
+ 133  106691.7;  134  15524.41;  139  8401.048;  140  147381.3;  141  26445.72;
+ 142  16580.9;  147  1184808;  148  182037.1;  149  118057.7;  150  13335.12;
+ 154  52797.08;  155  27663.84;  156  5118680;  157  887642.8;  158  274734.6;
+ 159  20813.61;  168  10444.18;  170  7751.918;  172  7560.306;  174  14948.61;
+ 186  8892.916;  214  121326.6;  215  24495.92;  216  10934.87;  228  26788.79;
+ 230  644118;  231  126613.2;  232  55314.81;  258  734178.3;  259  157119.7;
+ 260  65428.95;  261  8904.859;
+
+Name: Unknown 13
+DB.idx: -13
+rt: 25.955
+Class: Unknown
+rt.sd: 0.002
+Num Peaks: 223
+ 53  7014.362;  54  11191.39;  55  19552.89;  58  26742.24;  59  209808.8;
+ 60  17004.38;  61  30818.53;  69  37092.91;  70  16805.93;  71  8484.984;
+ 72  39439.11;  73  4938742;  74  552699.6;  75  412996;  76  31799.26;
+ 77  23679.47;  81  34211.95;  82  104629.4;  83  29149.95;  85  31137.71;
+ 86  13121.49;  87  13161.08;  88  7292.768;  89  466436.6;  90  40348.34;
+ 91  22198.72;  96  11027.28;  97  14381.73;  99  23289.15;  100  96037.42;
+ 101  67168.27;  102  40504.01;  103  693918.4;  104  66641.68;  105  108550.1;
+ 106  10596.67;  107  6888.602;  109  15374.71;  110  16286.97;  111  30137.61;
+ 112  11913.42;  113  41929.01;  114  43378.91;  115  35919;  116  39765.2;
+ 117  679944.8;  118  64601.96;  119  44130.38;  124  6196.905;  125  7104.764;
+ 126  27923.6;  127  41443.29;  128  36352.47;  129  784679.8;  130  465413.1;
+ 131  150715.3;  132  31292.61;  133  262084.4;  134  36263.97;  135  24508.6;
+ 138  18703.95;  139  18093.87;  140  17203.84;  141  19800.79;  142  71448.12;
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+ 148  341710.7;  149  223222.4;  150  28450.81;  151  19550.77;  152  14611.81;
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+ 272  74618.63;  273  32889.79;  274  33417.87;  275  17058.29;  276  16867.28;
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+ 289  14996.3;  290  6442.107;  291  44485.4;  292  13376.47;  293  7539.801;
+ 302  91283.32;  303  47811.05;  304  45186.15;  305  65166.84;  306  26963.58;
+ 317  19519.93;  318  17540.58;  319  835582.1;  320  248509.5;  321  119373.6;
+ 322  23554.03;  323  6801.498;  330  9280.445;  331  106657.8;  332  264057.5;
+ 333  100869.2;  334  41167.94;  335  11481.92;  337  6090.924;  344  5827.736;
+ 345  11820.09;  360  11257.01;  361  1007956;  362  328610.3;  363  155920.4;
+ 364  43003.3;  392  25934.38;  393  8556.562;  394  35475.5;  395  11972.35;
+ 396  6116.554;  450  7131.902;  451  12525.9;
+
+Name: Unknown 14
+DB.idx: -14
+rt: 26.582
+Class: Unknown
+rt.sd: 8e-04
+Num Peaks: 147
+ 55  155533.2;  56  18507.41;  57  56105.04;  58  28687.2;  59  46650.46;
+ 60  18479.16;  61  111072.5;  62  7603.289;  65  7127.397;  67  166204.5;
+ 68  18062.02;  69  190162;  70  22764.05;  71  28760.39;  72  116045.9;
+ 73  2361374;  74  209916.4;  75  2491281;  76  196543.8;  77  112134;
+ 79  70133.67;  80  8696.265;  81  194020.5;  82  22278.09;  83  132449.7;
+ 84  64859.24;  85  91815.3;  86  28564.39;  87  10444.62;  88  11923.33;
+ 89  45474.77;  91  22677.45;  93  58521.19;  94  8097.786;  95  208107.5;
+ 96  21842.96;  97  87725.43;  98  150267;  99  70802.29;  101  23063.52;
+ 105  49889.5;  107  33182.35;  109  73201.91;  110  9285.328;  111  109165.3;
+ 112  49542.86;  113  13843.89;  115  20521.16;  116  135714.9;  117  4743520;
+ 118  595324;  119  248462;  120  12120.88;  121  36624.98;  123  25384.2;
+ 125  19302.3;  126  18789.19;  127  22588.69;  129  2305554;  130  288466.6;
+ 131  598255.9;  132  362620.7;  133  143205.2;  134  22946.91;  135  29684.95;
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+ 144  29707;  145  584976.9;  146  74602.55;  153  25309.3;  154  24257.49;
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+ 209  15177.99;  213  60868.78;  214  11102.76;  215  61809.73;  216  24410.61;
+ 227  80200.57;  228  15176.97;  229  106017.8;  230  25629.16;  237  6342.98;
+ 238  9215.649;  241  52693.22;  242  11678.14;  243  121974;  244  27608.6;
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+ 283  46999.05;  284  10381;  285  186176.4;  286  45338.68;  287  12660.99;
+ 297  13179.23;  299  52583.54;  300  12214.01;  311  8385.19;  312  21295.75;
+ 313  3336360;  314  955690.7;  315  250811.6;  316  36723.21;  327  17015.88;
+ 328  230385.3;  329  60175.73;  330  16371.5;  331  138335.7;  332  34603.09;
+ 333  9617.081;  376  23182.79;
+
+Name: Unknown 15
+DB.idx: -15
+rt: 9.672
+Class: Unknown
+rt.sd: 0.0038
+Num Peaks: 47
+ 55  16184.26;  58  15025.37;  59  78527.73;  60  15054.17;  61  15385.23;
+ 66  10291.86;  72  26871.11;  73  2370544;  74  245029;  75  175089;
+ 76  15196.17;  85  9988.354;  86  25533;  98  12881.66;  100  233858.5;
+ 104  28785.01;  112  16022.36;  114  29754.1;  128  75186.37;  130  47987.09;
+ 131  78243.05;  132  63295.49;  133  81941.2;  134  12229.02;  142  15746.89;
+ 144  4526017;  145  720059.1;  146  222193.9;  147  875522.6;  148  142778.5;
+ 149  91619.63;  150  10233.85;  156  47913.5;  157  49355.3;  163  28469.88;
+ 164  5375.023;  171  23214.9;  203  12115.45;  218  469279;  219  546435.1;
+ 220  119408.7;  221  43082.88;  246  32523.5;  247  36693.15;  248  9130.37;
+ 261  13714.82;  281  17367.95;
+
+Name: Unknown 16
+DB.idx: -16
+rt: 37.205
+Class: Unknown
+rt.sd: 0.0014
+Num Peaks: 223
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+ 75  259797.5;  76  18182.73;  77  15228.93;  79  15467.76;  91  65157.25;
+ 92  5320.026;  105  58082.29;  106  6683.072;  107  11640.35;  115  39908.61;
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+ 354  44883.16;  355  14905.37;  365  33700.06;  366  12054.27;  367  535065.9;
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+ 373  4736.74;  379  12894.22;  380  4388.634;  381  221141;  382  71766.41;
+ 383  121191.9;  384  35582.73;  385  16862.33;  386  5489.615;  393  34293.61;
+ 394  12697.46;  395  15527.03;  396  5878.513;  397  14504.33;  398  6091.072;
+ 399  77818.95;  400  25866.34;  401  9690.379;  407  15353.67;  408  5704.373;
+ 409  165023.5;  410  56745.73;  411  18223.78;  412  5262.866;  423  208536.4;
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+ 437  16822.06;  438  7748.247;  439  59509.95;  440  25832.89;  441  31022.44;
+ 442  9964.034;  453  12950.22;  454  5177.313;  455  4228586;  456  1988427;
+ 457  756209;  458  175995.3;  459  32050.18;
+
+Name: Unknown 17
+DB.idx: -17
+rt: 11.522
+Class: Unknown
+rt.sd: 0.0024
+Num Peaks: 147
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+ 73  2085705;  74  235871.5;  75  559257;  76  47355.39;  77  945736.8;
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+ 95  20366.04;  96  7553.355;  97  10336.33;  98  95262.64;  99  16008.33;
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+ 284  1040377;  285  438759.2;  286  61089.45;  287  11009.25;  297  10689.33;
+ 298  114685.8;  299  28712.91;
+
+Name: Unknown 18
+DB.idx: -18
+rt: 8.379
+Class: Unknown
+rt.sd: 0.0041
+Num Peaks: 30
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+ 62  4119.728;  70  20519.5;  72  108125.6;  73  3421202;  74  322452.1;
+ 75  447289.3;  76  34400;  84  42371.58;  86  106556.3;  87  41590.45;
+ 102  80230.45;  114  43023.49;  128  9656.388;  130  1975299;  144  657576.8;
+ 145  87689;  146  69978.01;  159  14205.47;  173  37142.35;  174  1446968;
+ 175  199474.6;  176  62839.43;  188  1464228;  189  214496.9;  203  151982.7;
+
+Name: Unknown 19
+DB.idx: -19
+rt: 25.317
+Class: Unknown
+rt.sd: 0.0013
+Num Peaks: 218
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+ 191  227541.4;  192  39265.21;  193  16483.59;  196  14049.58;  197  8997.413;
+ 198  13168.41;  199  7642.726;  200  19729.29;  201  46470.39;  202  14598.69;
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+ 217  2462528;  218  585692.4;  219  319328.6;  220  50675.91;  221  43639.2;
+ 222  11868.25;  223  4978.708;  227  16004.39;  228  26420.74;  229  148223.9;
+ 230  56643.21;  231  97196.52;  232  49082.57;  233  36296.48;  234  13020.73;
+ 235  14183.06;  239  5189.027;  240  6898.892;  241  30517.15;  242  93804.8;
+ 243  346211.2;  244  320938.3;  245  114127.6;  246  45853.14;  247  110074.3;
+ 248  42404.55;  249  14012.16;  250  3852.444;  254  3891.876;  255  10814.34;
+ 256  11013.41;  257  18887.55;  258  27649.39;  259  32011.38;  260  40330.49;
+ 261  12136.41;  262  27403.79;  263  7986.532;  268  4769.352;  270  23049.13;
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+ 286  11665.04;  287  5643.217;  288  5798.248;  289  14659.93;  290  9495.972;
+ 291  33432.36;  292  13260.26;  293  6628.802;  302  53991.06;  303  33012.99;
+ 304  25299.32;  305  47150.47;  306  19220.36;  317  16585.14;  318  15295.67;
+ 319  420805.2;  320  123064.4;  321  61211.62;  322  12174.93;  330  4613.333;
+ 331  98953.18;  332  228826.3;  333  87628.02;  334  36103.48;  335  9799.982;
+ 344  3878.535;  345  11134.87;  346  4435.043;  350  4943.901;  360  7705.489;
+ 361  1050390;  362  343469.9;  363  163123;  364  40738.41;  392  20373.58;
+ 393  7254.018;  394  22197.97;  395  7245.769;  450  5605.721;  451  12938.31;
+ 452  5814.685;  482  10720.24;  483  4371.642;
+
+Name: Unknown 20
+DB.idx: -20
+rt: 24.55
+Class: Unknown
+rt.sd: 0.0028
+Num Peaks: 223
+ 53  15700.9;  54  15138.37;  55  284349.3;  56  15094.3;  57  27535.6;
+ 58  217797;  59  1093533;  60  94732.66;  61  64627.2;  62  5239.778;
+ 65  8032.772;  67  54818.89;  68  10886.31;  69  137603.3;  70  56858.4;
+ 71  40157.7;  72  220427.1;  74  2266675;  75  1548469;  76  79200.71;
+ 77  44340.12;  78  9157.023;  79  11347.89;  80  10224.35;  81  39462.35;
+ 82  84680.43;  83  1060213;  84  72040.98;  85  49575.05;  86  59808.81;
+ 87  60795.2;  88  67353.57;  89  2051509;  90  284720.3;  91  132339.2;
+ 92  7692.516;  94  5701.405;  95  8348.73;  96  164511.7;  97  189823;
+ 98  25812.68;  99  88144.98;  100  1176833;  101  366141.6;  102  204494;
+ 103  2570805;  104  489137.9;  105  1380622;  106  165181.3;  107  63584.27;
+ 109  12057.77;  110  16697.57;  111  89300.27;  112  26127.98;  113  146271.9;
+ 114  185420.9;  115  108297.7;  116  110700.5;  117  2746259;  118  566948.2;
+ 119  369508.8;  120  29657.56;  121  11761.21;  124  4824.999;  125  28492.96;
+ 126  82462.64;  127  192075.8;  128  94858.7;  129  3328544;  130  1296006;
+ 131  1103968;  132  192444.3;  133  1970554;  134  371045.4;  135  178625.8;
+ 136  19261.98;  137  6553.411;  138  36173.22;  139  21256.18;  140  34926.79;
+ 141  80483.67;  142  133351.1;  143  605992.2;  144  83366.27;  145  127849.9;
+ 146  56144.82;  148  2629245;  149  1973640;  150  332250.3;  151  111589.3;
+ 152  45901.78;  153  29831.55;  154  85054.72;  155  38386.9;  156  35705.15;
+ 158  1286424;  159  652872.8;  161  1472294;  162  481035.2;  163  742101.3;
+ 164  121343.2;  165  65885.38;  166  19651.72;  167  8307.268;  168  66210.69;
+ 169  420806.1;  170  108677.3;  171  55931.1;  172  293511.9;  173  182232.2;
+ 174  95526.34;  175  289251;  176  50114.85;  177  418893.3;  178  84957.59;
+ 180  56760.28;  181  11397.04;  182  200168.3;  183  39471.06;  184  31507.16;
+ 185  43291.04;  186  330113.9;  187  149058.6;  188  145118.2;  189  2056185;
+ 190  705034;  191  1044791;  192  211837;  193  89605.14;  194  17203.86;
+ 195  5213.868;  196  138015.9;  197  24885.18;  198  30597.81;  199  8931.417;
+ 200  89949.93;  201  898403.5;  202  216069.7;  203  279968.3;  204  1498439;
+ 206  2239142;  207  1413222;  208  233892.9;  209  48376.91;  210  145339;
+ 211  27126.57;  212  13493.85;  213  11192.21;  214  676022.4;  215  231580.3;
+ 216  184187.6;  218  1839851;  219  983021.1;  220  198015.3;  221  656973.4;
+ 222  159922.6;  223  87894.92;  224  16336.93;  225  5424.187;  226  12933.64;
+ 227  11826.12;  228  68238.38;  229  2247092;  230  976792.6;  231  589966.2;
+ 232  193623;  233  1141031;  234  338526.1;  235  591257.8;  236  117765.4;
+ 237  57623.25;  238  11017.91;  240  77101.28;  241  64152.64;  242  289424.7;
+ 243  261980.6;  244  298376;  245  276620.3;  246  240540.1;  247  174261.2;
+ 248  63734.14;  249  23772.95;  250  6300.767;  251  21318.49;  252  16811.44;
+ 253  15742.25;  254  34073.7;  255  10655.85;  256  61283.61;  257  26844.34;
+ 258  23703.78;  259  141384.7;  260  91217.81;  261  47527.35;  262  162290.7;
+ 263  44087.86;  264  20403.83;  265  119321.3;  266  30718.07;  267  17236.03;
+ 268  520783.4;  269  273007.1;  270  166417.9;  271  41804.75;  273  404823.5;
+ 274  435167.1;  275  175789.7;  276  72950.69;  277  1209634;  278  414857.7;
+ 279  198762;  284  62672.52;  285  35025.64;  286  33211.29;  287  10368.31;
+ 288  47022.67;  289  23239.31;  290  21351.36;  291  1071682;  292  362988.2;
+ 293  186205.8;  294  38966.44;  295  11052.18;
+
+Name: Unknown 21
+DB.idx: -21
+rt: 10.869
+Class: Unknown
+rt.sd: 0.0042
+Num Peaks: 28
+ 58  6392.718;  59  33749.57;  61  7098.332;  66  40777.23;  68  12902.42;
+ 70  34248.16;  72  28484.62;  73  1254372;  74  106558.4;  80  5467.112;
+ 84  4848.256;  85  7866.727;  98  5241.831;  106  5725.139;  107  4639.756;
+ 113  8813.209;  126  4447.887;  127  4702.755;  140  16610.17;  142  3274166;
+ 143  475247.3;  144  144751.1;  145  10409.22;  147  317461.5;  170  20447.59;
+ 175  15140.43;  216  196440.6;  244  22318.82;
+
+Name: Unknown 22
+DB.idx: -22
+rt: 28.524
+Class: Unknown
+rt.sd: 0.0014
+Num Peaks: 148
+ 58  10290.67;  59  21879.33;  70  6086.132;  72  15225.46;  73  1503033;
+ 74  122628;  84  17907.37;  85  4335.471;  86  13188.7;  87  4243.778;
+ 98  9831.153;  99  8189.196;  100  96369.31;  101  11803.3;  102  5736.801;
+ 113  6685.078;  114  4184.125;  125  3890.906;  130  26580.23;  131  131802.2;
+ 132  27672.29;  133  42304.23;  141  17778.72;  147  664191.6;  148  104320.2;
+ 149  61366.88;  150  7543.648;  155  8403.521;  156  7392.297;  158  46953.8;
+ 159  8846.44;  167  6794.157;  168  3750.477;  170  5618.087;  171  58899.45;
+ 172  53491.42;  173  12544.06;  174  40070.57;  175  7211.982;  176  3476.451;
+ 181  3232.763;  182  8296.628;  184  8906.122;  188  9644.661;  195  7673.35;
+ 197  11432.67;  198  9040.643;  199  40064.79;  200  8908.288;  210  3862.265;
+ 213  7657.442;  224  15563.49;  225  6938.712;  226  4750.667;  227  3478.392;
+ 232  7560.497;  236  4265.289;  238  5846.586;  240  6552.756;  242  6397.771;
+ 245  15218.87;  246  5175.127;  251  7137.035;  252  19871.4;  253  8601.042;
+ 254  10729.09;  255  5498.387;  256  5624.85;  265  4871.409;  266  5683.089;
+ 267  15111.39;  268  8997.71;  269  5168.607;  279  18737.65;  280  5322.322;
+ 282  3837.915;  284  6122.648;  292  6717.25;  293  17116.49;  294  17062.24;
+ 295  21239.01;  296  8068.25;  297  5579.174;  298  12419.1;  308  31709.68;
+ 309  10796.29;  310  15513.28;  311  13675.21;  312  7025.852;  314  9662.907;
+ 323  4551.392;  324  15132.29;  325  15353.4;  326  93185.63;  327  30745.35;
+ 328  61396.6;  329  17156.32;  330  7856.286;  337  3635.078;  339  9510.999;
+ 340  9900.62;  341  26751.11;  342  13347.93;  343  6733.319;  351  74871.45;
+ 352  24175.44;  353  174296.6;  354  49172.59;  355  24283.62;  366  75921.87;
+ 367  643991;  368  226354.9;  369  178081.9;  370  49791.32;  371  18894.04;
+ 372  4432.237;  381  6318.237;  382  976720.4;  383  363389.9;  384  192708.5;
+ 385  48803.06;  386  14676.93;  387  3610.68;  399  6136.917;  400  7232.161;
+ 411  5518.715;  413  8737.939;  414  8824.286;  415  4759.408;  425  48532.79;
+ 426  17979.14;  427  13178.23;  428  4548.086;  439  4712.894;  440  5023.238;
+ 441  2813424;  442  1200687;  443  654945.4;  444  173466.3;  445  49729.8;
+ 446  9810.453;  455  124723;  456  2129412;  457  917588.8;  458  490996.4;
+ 459  137897.6;  460  40291.12;  461  9568.374;
+
+Name: Unknown 23
+DB.idx: -23
+rt: 7.126
+Class: Unknown
+rt.sd: 0.004
+Num Peaks: 59
+ 56  11191.81;  57  8808.888;  58  97135.77;  59  365449.6;  60  29414.15;
+ 61  26886.13;  70  13782.66;  71  15260.4;  72  102123.3;  73  2172792;
+ 74  681099.1;  75  201030.7;  76  31793.52;  77  60359.18;  78  6073.672;
+ 84  15730.8;  86  10325.17;  89  631956.1;  90  51070.89;  91  24861.01;
+ 98  18243.4;  99  310027.7;  100  131856.3;  101  19580.59;  105  35063.87;
+ 106  5091.948;  107  5179.068;  114  41590.73;  115  236408.8;  116  31193.28;
+ 121  4643.262;  123  3387.866;  128  6906.682;  143  23459.86;  151  40012.59;
+ 152  16394.39;  153  6306.381;  155  35285.14;  158  187455.1;  159  27158.94;
+ 174  2762466;  175  353138.9;  176  129268.4;  177  10332.92;  178  27766.63;
+ 179  4880.62;  193  13495.72;  195  3380.597;  209  20585.23;  225  190962;
+ 226  40406.39;  227  23952.72;  228  4221.81;  248  4924.132;  252  13027.63;
+ 266  3974.917;  318  356513.2;  319  87855;  320  46069.5;
+
+Name: Unknown 24
+DB.idx: -24
+rt: 22.736
+Class: Unknown
+rt.sd: 0.0077
+Num Peaks: 147
+ 55  26954.19;  56  19749.96;  58  11697.82;  59  94651.74;  60  7465.147;
+ 61  11789.29;  69  155096.3;  70  8622.075;  72  16648.09;  73  2437644;
+ 74  212567.9;  75  241489.8;  76  18553.03;  81  23806.51;  83  16947.11;
+ 85  8914.339;  87  6147.002;  91  7300.961;  97  36800.47;  98  3392.011;
+ 99  19184.6;  101  153373.4;  102  16649.41;  103  260686.3;  104  24953.34;
+ 109  4448.04;  111  17724.29;  113  74395.85;  114  11450.76;  115  31465.38;
+ 116  91816.53;  117  157545.9;  118  17200.86;  119  20327.79;  125  5307.028;
+ 127  33795.66;  128  18643.7;  129  383557.5;  131  138975.7;  132  20237.33;
+ 133  231160.7;  134  31882.04;  135  18420.54;  139  4964.033;  141  16239.91;
+ 142  10421.81;  143  164224;  144  20632.06;  145  25597.23;  147  1895118;
+ 148  314707.8;  149  264465.3;  150  34052.14;  151  19660.71;  152  3515.713;
+ 153  13590.93;  154  6544.032;  155  70690.39;  156  11810.88;  159  79195.38;
+ 167  39311.43;  168  6085.776;  169  146102;  170  28208.27;  171  13077.96;
+ 173  12079.93;  174  22152.32;  175  34033.09;  176  5746.02;  177  44602.55;
+ 178  7709.693;  179  4662.9;  182  25846.58;  183  244915.2;  184  34717;
+ 185  16161.99;  189  369244;  190  69763.33;  191  1146177;  192  200638.3;
+ 193  94554.38;  194  11251.48;  203  286027.5;  204  377174.6;  205  158774.5;
+ 206  39027.09;  215  72674.02;  216  17192.02;  217  1894868;  218  871238.2;
+ 219  267372.4;  220  66393.44;  221  57480.37;  222  13772.3;  223  7593.921;
+ 229  70663.15;  230  38530.01;  231  106732;  232  25447.04;  233  28547.29;
+ 234  7935.006;  241  3271.881;  242  24525.04;  243  58654.41;  245  132107.3;
+ 246  56499.6;  255  16686.42;  256  7617.25;  257  334939.7;  258  72888.4;
+ 259  436802;  260  95737.94;  261  39178.1;  262  9176.33;  265  6610.303;
+ 271  34470.21;  272  118705.1;  273  86923.05;  291  24522.05;  292  10437.3;
+ 293  5294.164;  305  74481.16;  306  70192.65;  307  42804.71;  308  13727.75;
+ 317  15986.23;  318  10515.02;  331  57856.69;  332  53965.57;  333  21057.54;
+ 334  8295.569;  335  15116.34;  336  4527.462;  344  6175.042;  345  4274.958;
+ 347  37638.4;  348  25021.53;  349  66932.91;  350  20484.36;  351  10746.57;
+ 362  124222.4;  363  42466.45;  437  12551.5;  438  5421.411;  452  12778.18;
+ 453  5037.236;  454  3062.433;
+
+Name: Unknown 25
+DB.idx: -25
+rt: 10.493
+Class: Unknown
+rt.sd: 0.002
+Num Peaks: 12
+ 96  14838.26;  100  70084.98;  102  326384;  158  2322256;  159  347966.4;
+ 160  97685.7;  170  27854.04;  232  108106.5;  233  28166.05;  234  10984.91;
+ 260  37202.02;  261  7990.255;
+
+Name: Unknown 26
+DB.idx: -26
+rt: 27.14
+Class: Unknown
+rt.sd: 0.0016
+Num Peaks: 128
+ 55  5688.73;  58  7486.156;  59  45496.61;  60  3702.564;  61  6549.708;
+ 69  12052.34;  72  9834.967;  73  1537122;  74  128451.6;  81  7145.106;
+ 83  16280.54;  89  80629.21;  90  7628.19;  91  7502.856;  100  85740.71;
+ 101  15117.1;  102  12640.41;  103  62127.27;  104  6834.339;  105  14748.1;
+ 111  5787.63;  113  11751.29;  116  11146.15;  117  56379.39;  127  7091.204;
+ 128  7505.771;  129  128479.5;  130  22341.51;  131  38635.59;  132  15928.49;
+ 133  52379.85;  134  7962.051;  141  5821.097;  142  6279.515;  143  36858.15;
+ 145  7324.449;  147  513933.3;  148  144040.9;  149  58279.38;  150  8176.886;
+ 153  5143.493;  154  3198.32;  155  8557.892;  157  173060.5;  158  23841.73;
+ 159  15266.84;  161  12262.86;  163  17897.51;  164  3495.038;  168  3540.398;
+ 169  30179.27;  170  8245.919;  172  29164.42;  175  6783.768;  177  7122.214;
+ 180  5643.047;  182  9551.212;  187  5160.145;  188  5866.946;  189  297638.7;
+ 190  55387.29;  191  103189.2;  192  18972.72;  193  8052.571;  196  4904.114;
+ 203  32347.29;  204  2232669;  205  551369;  206  212863.2;  207  32973.37;
+ 214  5114.222;  215  11715.15;  216  7156.582;  217  480269.4;  218  124719.2;
+ 219  49130.2;  220  515727;  221  103702.8;  222  43792.78;  223  6078.246;
+ 227  2919.242;  228  2745.636;  229  45421.27;  230  24962.45;  231  20135.26;
+ 232  8929.083;  233  59560.69;  234  16462.45;  235  7106.515;  242  8558.153;
+ 243  33943.7;  244  17525.85;  245  10207.08;  246  5765.84;  247  5264.242;
+ 259  33921.07;  260  10285.55;  261  4367.066;  262  6077;  268  5708.684;
+ 270  9174.932;  271  6135.467;  272  3048.161;  291  19348.01;  292  6241.434;
+ 293  3698.962;  294  4666.951;  304  9142.102;  305  38476.42;  306  15024.02;
+ 317  8814.937;  319  689168.9;  320  200409.6;  321  101729.9;  322  19918.87;
+ 323  5191.699;  331  8400.39;  332  8085.24;  333  10091.29;  334  4083.607;
+ 344  4166.958;  358  5670.73;  360  2466.616;  361  12782.79;  362  4757.166;
+ 437  7779.225;  438  3202.642;  448  4198.613;
+
+Name: Unknown 27
+DB.idx: -27
+rt: 8.667
+Class: Unknown
+rt.sd: 0.006
+Num Peaks: 19
+ 56  4049.901;  69  60461.1;  73  1530662;  91  27775.36;  126  3164.036;
+ 128  29799.14;  142  71668.63;  143  55910.37;  147  1336049;  152  36937.79;
+ 153  5250.852;  167  7322;  191  2039721;  192  384044.6;  193  179518.5;
+ 194  20738.95;  195  4540.323;  204  231041.7;  246  6683.29;
+
+Name: Unknown 28
+DB.idx: -28
+rt: 11.034
+Class: Unknown
+rt.sd: 0.0042
+Num Peaks: 35
+ 59  135166.3;  60  10503.28;  73  626348.1;  86  304343.5;  87  25751.24;
+ 88  11973.6;  100  150278.4;  101  20746.96;  102  8786.364;  113  6327.134;
+ 130  40559.21;  131  35045.55;  133  104483;  134  16110.86;  147  530837.9;
+ 148  83167.12;  149  53803.81;  172  16739.08;  174  1920908;  175  362110;
+ 176  159576.1;  177  19496.85;  178  3511.011;  188  10732.9;  202  6258.201;
+ 246  33855.84;  248  415465;  249  100342.4;  250  50613.83;  251  8639.188;
+ 252  2234.903;  276  129907.1;  277  33286.41;  278  16948.84;  279  3533.743;
+
+Name: Unknown 29
+DB.idx: -29
+rt: 23.849
+Class: Unknown
+rt.sd: 0.0049
+Num Peaks: 30
+ 55  12274.42;  83  51963.54;  86  8336.475;  107  4260.674;  157  533612.3;
+ 158  77956.26;  159  29933.97;  160  593001.4;  161  100227.1;  162  28692.33;
+ 205  945418.8;  206  191056.9;  207  83360.24;  208  10626.63;  210  19430.64;
+ 229  193062.4;  234  20576.33;  274  49018.02;  294  2345.025;  319  1741391;
+ 320  541294.4;  321  261829.6;  322  50181.88;  323  13370.03;  329  7698.52;
+ 373  4792.44;  388  3468.954;  419  6344.091;  494  10241.01;  495  3854.499;
+
+Name: Unknown 30
+DB.idx: -30
+rt: 6.905
+Class: Unknown
+rt.sd: 0.0029
+Num Peaks: 49
+ 59  29324.6;  72  17706.61;  73  1150315;  74  92150.76;  77  151465.9;
+ 87  5353.624;  100  245139.3;  101  22797.03;  102  10063.96;  107  5488.979;
+ 115  26803.35;  121  10519.47;  123  5638.134;  131  145420.8;  132  30398.85;
+ 135  36272.14;  137  20218.12;  147  1624579;  148  266536.2;  149  181364.9;
+ 150  23724.78;  151  322738;  155  10059.36;  158  71400.67;  159  11198.14;
+ 168  39779.24;  169  7849.116;  174  452526.3;  175  73648.46;  176  35203.82;
+ 178  27580.04;  179  4171.598;  180  2896.606;  187  3653.5;  196  16336.65;
+ 197  2548.898;  224  43301.55;  226  3418.723;  246  8434.172;  250  8382.423;
+ 262  449277.7;  263  111789.8;  264  56365.23;  265  10205.08;  266  98267.01;
+ 267  23207.1;  268  12797.22;  316  36508.21;  317  9562.827;
+
+Name: Unknown 31
+DB.idx: -31
+rt: 24.188
+Class: Unknown
+rt.sd: 0.0024
+Num Peaks: 223
+ 53  22166.43;  54  59618.54;  55  380849.8;  56  23167.19;  57  37207.4;
+ 58  278317;  59  1123734;  60  140681.9;  61  97662.02;  62  6321.43;
+ 63  4132.53;  65  11437.2;  66  9473.125;  67  121998.3;  68  30309.27;
+ 69  89979.54;  70  110968.8;  71  60166.65;  72  307695.5;  75  1416359;
+ 76  102123;  77  58583.52;  78  13021.17;  79  16703.76;  80  40101.98;
+ 81  42209.54;  82  266872.2;  83  1137899;  84  111778.3;  85  76724.56;
+ 86  246353.5;  87  93034.75;  88  99674.89;  90  320807.3;  91  154512.9;
+ 92  10337.22;  94  12963.01;  95  12177.7;  96  20954.91;  97  95009.83;
+ 98  42699.05;  99  137285.1;  100  785646.4;  101  455720.7;  102  347599.6;
+ 104  335445.8;  105  1572034;  106  300742.1;  107  123128.9;  108  9055.29;
+ 109  17244.49;  110  41340.16;  111  114308.1;  112  60435.39;  113  207732.1;
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+ 133  1532749;  134  388191.5;  135  220060.8;  136  24156.5;  137  9461.816;
+ 138  38439.8;  139  34653.12;  140  73487.24;  141  113095.6;  142  346134.1;
+ 143  700480.2;  144  127016.7;  145  257737;  146  71316.27;  150  446593.3;
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+ 158  1389669;  159  753140.1;  162  752531;  163  787756;  164  161171.2;
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+ 185  47290.32;  186  379969.6;  187  103841;  188  90829.41;  190  765444.7;
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+ 201  976853.2;  202  294795.6;  203  352891.4;  204  1510369;  207  1375264;
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+ 213  21970.38;  214  137680.1;  215  304280.8;  216  957783.1;  219  1015639;
+ 220  217259.6;  221  797855;  222  233544.3;  223  130785.3;  224  27533.05;
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+ 241  81903.57;  242  133505.7;  243  265216.6;  244  572514.8;  245  227300.5;
+ 246  393989;  247  205805;  248  84628.58;  249  26021.65;  250  8758.605;
+ 251  4778.697;  252  8794.161;  253  49081.85;  254  100029.4;  255  37294.79;
+ 256  296897.2;  257  88092.71;  258  42908.18;  259  118504.4;  260  166891.5;
+ 261  76520.88;  262  671988.4;  263  182388.8;  264  82061.86;  265  171577.6;
+ 266  44874.74;  267  24405.72;  268  256304.5;  269  595178.7;  270  263411;
+ 271  96955.18;  272  62287.62;  274  1004473;  275  387111.2;  276  292850.9;
+ 277  1107616;  278  472092.8;  279  233695.2;  280  49264.33;  281  12830.16;
+ 284  37335.7;  285  10772.14;  286  101771.9;  287  25373.34;  288  37747.12;
+ 289  25751.86;  290  94209.69;  291  1207875;  292  521787.9;  293  312551.1;
+ 294  71337.39;  295  21152.03;  296  4524.459;  300  543673.4;  301  152549.2;
+ 302  187646.3;  303  73598.28;  304  109638.9;
+
+Name: Unknown 32
+DB.idx: -32
+rt: 11.957
+Class: Unknown
+rt.sd: 0.0021
+Num Peaks: 35
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+ 86  12009.67;  88  10048.73;  98  3477.394;  100  187431.9;  101  24283.61;
+ 102  7738.294;  114  34405.89;  116  78456.13;  132  25902.22;  141  6636.5;
+ 147  310679.1;  156  19144.12;  163  24319.03;  164  4104.832;  172  8226.528;
+ 188  263421.4;  189  70180.11;  190  27324.25;  203  9768.771;  204  1434222;
+ 205  280427.1;  206  126770.1;  216  50415.68;  218  807181.8;  219  154344.2;
+ 220  67083.88;  278  111563.1;  279  30565.81;  280  14133.6;  306  49674.48;
+
+Name: Unknown 33
+DB.idx: -33
+rt: 7.664
+Class: Unknown
+rt.sd: 0.004
+Num Peaks: 28
+ 55  304598.4;  56  28408.26;  57  24024.69;  60  6271.599;  61  16587.16;
+ 62  1475.52;  72  1272022;  74  108479.1;  75  268599.3;  76  22917.99;
+ 85  8093.929;  86  17192.17;  87  20032.8;  92  2332.929;  102  15710.68;
+ 104  28385.86;  112  2895.894;  113  14671.22;  114  7965.432;  128  53634.86;
+ 130  70905.02;  131  71893.85;  146  57310.53;  156  80384.49;  157  79391.09;
+ 174  39958.63;  175  41828.91;  176  6507.455;
+
+Name: Unknown 34
+DB.idx: -34
+rt: 12.326
+Class: Unknown
+rt.sd: 0.0042
+Num Peaks: 75
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+ 66  7315.686;  68  13290.67;  69  18348.8;  71  17524.57;  72  55274.63;
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+ 86  13196.54;  87  9366.633;  90  11714.2;  91  141671.8;  92  4800.334;
+ 94  2379.573;  95  9771.6;  96  4509.389;  98  9003.761;  102  6904.109;
+ 106  6187.704;  108  2793.134;  116  15701.56;  118  70761.62;  121  4438.032;
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+ 137  9028.692;  138  9441.877;  140  18307.54;  144  17165.28;  164  80221.65;
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+ 194  3828.763;  196  4619.131;  197  4452.561;  210  106608.6;  213  210128.4;
+ 214  33480.57;  215  9357.038;  223  15921.41;  224  5608.886;  237  10977.49;
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+ 267  1208241;  268  203900;  269  57143.62;  270  6728.622;  282  9294.283;
+
+Name: Unknown 35
+DB.idx: -35
+rt: 7.523
+Class: Unknown
+rt.sd: 0.0023
+Num Peaks: 10
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+ 162  10497.59;  177  137636.4;  178  23082.49;  179  10539.97;  205  72763.71;
+
+Name: Unknown 36
+DB.idx: -36
+rt: 10.831
+Class: Unknown
+rt.sd: 0.0036
+Num Peaks: 21
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+ 146  16810.54;  158  1185706;  159  170389.4;  160  49146.86;  218  239842.9;
+ 219  70804.78;  220  28384.61;  232  55408.1;  233  19816.92;  234  6713.646;
+ 260  12935.42;
+
+Name: Unknown 37
+DB.idx: -37
+rt: 30.287
+Class: Unknown
+rt.sd: 0.0028
+Num Peaks: 176
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+ 84  193669.4;  85  41391.37;  86  12126.73;  87  3364.546;  88  4611.016;
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+ 105  37995.34;  106  9857.545;  107  55012.34;  108  33132.74;  109  100093.9;
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+ 137  54649.39;  138  42871.61;  139  14291.32;  140  4010.723;  141  4752.745;
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+ 151  39029.12;  152  40070.67;  153  12006.6;  155  39884.54;  157  37333.48;
+ 159  29483.99;  161  18154.87;  162  8035.737;  164  8838.559;  165  24954.49;
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+ 227  30995.69;  228  6716.967;  235  25674.18;  236  11177.49;  237  2740.201;
+ 239  6048.82;  241  36240.32;  242  8154.873;  243  12644.17;  246  14129.16;
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+ 264  121734.3;  265  24907.53;  266  2725.835;  269  8745.791;  270  2674.851;
+ 271  14664.48;  272  16887.86;  286  9222.122;  297  8127.543;  298  1979.683;
+ 311  25148.08;  312  5942.694;  323  7999.412;  324  2376.45;  325  4503.741;
+ 339  883010;  340  244213.1;  341  62148.59;  342  9342.962;  353  2691.047;
+ 354  52710;  355  15280.13;  356  4433.418;  357  50768.72;  358  13903.68;
+ 359  4100.845;
+
+Name: Unknown 38
+DB.idx: -38
+rt: 6.343
+Class: Unknown
+rt.sd: 9e-04
+Num Peaks: 11
+ 56  18749.88;  58  1142422;  59  45081.7;  70  11294.33;  72  296089;
+ 86  140607.3;  87  40289.48;  100  884135.6;  101  53513.11;  115  1071334;
+ 116  79148.16;
+
+Name: Unknown 39
+DB.idx: -39
+rt: 10.744
+Class: Unknown
+rt.sd: 0.0027
+Num Peaks: 50
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+ 119  13851.38;  122  16771.51;  123  7618.352;  124  164868.2;  125  10959.01;
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+ 166  15904.04;  167  3164.009;  168  4350.182;  169  8089.298;  180  6533.328;
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+ 282  51880.42;  284  228433.4;  285  36904.24;  286  9804.616;  334  5421.84;
+
+Name: Unknown 40
+DB.idx: -40
+rt: 12.441
+Class: Unknown
+rt.sd: 0.0023
+Num Peaks: 51
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+ 61  4973.786;  73  1100866;  74  96280.07;  84  7343.732;  85  6021.999;
+ 86  75139.33;  87  14274.56;  98  5671.346;  100  118391.3;  101  257111.4;
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+ 131  52087.34;  132  54099.5;  133  49330.11;  134  8540.741;  147  295496.4;
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+ 188  6973.937;  202  108504.9;  203  69375.3;  218  584644.2;  219  676547.2;
+ 220  143202.9;  221  66378.04;  222  11118.88;  230  26393.95;  248  7476.28;
+ 291  320998.1;  292  210041.7;  293  74677.12;  294  25467.24;  295  5668.509;
+ 320  46059.88;
+
+Name: Unknown 41
+DB.idx: -41
+rt: 8.823
+Class: Unknown
+rt.sd: 0.0052
+Num Peaks: 25
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+ 101  13948.65;  115  32657.51;  117  193684.4;  118  20779.37;  130  45570.48;
+ 143  23597.37;  147  998807.5;  148  148016.1;  149  111219.6;  150  12037.27;
+ 177  26836.11;  178  4532.102;  191  219169;  192  39660.86;  193  18961.91;
+ 233  91654.7;  234  17043.29;  235  8423.09;  267  11506.71;  355  10240.35;
+
+Name: Unknown 42
+DB.idx: -42
+rt: 8.365
+Class: Unknown
+rt.sd: 0.0016
+Num Peaks: 5
+ 132  84793.07;  147  837645.1;  190  71295.46;  218  222889.9;  219  43961.65;
+
+Name: Unknown 43
+DB.idx: -43
+rt: 11.687
+Class: Unknown
+rt.sd: 0.0037
+Num Peaks: 47
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+ 73  304456.8;  77  81115.31;  78  8579.297;  92  8954.223;  94  5914.784;
+ 96  40603.11;  110  3559.372;  112  3854.029;  119  13731.21;  122  29519.72;
+ 123  14628.76;  124  244868.1;  125  13054.67;  137  3750.017;  138  4010.119;
+ 139  8229.716;  165  5283.201;  166  8431.445;  168  7150.127;  169  10293.12;
+ 179  4224.042;  180  1986.571;  189  129266.1;  194  13606.97;  195  5540.659;
+ 196  4262.95;  214  21071.98;  236  5720.314;  238  813552.2;  239  117088.3;
+ 240  33156.59;  242  253267.1;  243  35101.43;  244  10865.78;  251  1456.841;
+ 294  603128.2;  295  114612.3;  296  29539.38;  297  3940.541;  298  61976.62;
+ 306  14497.51;  334  4646.427;
+
+Name: Unknown 44
+DB.idx: -44
+rt: 18.757
+Class: Unknown
+rt.sd: 0.001
+Num Peaks: 62
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+ 65  7064.967;  67  55791.55;  68  5557.428;  69  124540.7;  70  10981.79;
+ 71  10469.07;  77  18768.9;  79  43435.3;  80  5977.305;  81  92840.07;
+ 82  60677.78;  83  122267.9;  84  28756.51;  85  11322.05;  91  25427.07;
+ 92  3397.097;  93  21050.74;  94  4033.923;  95  71347.16;  96  47553.56;
+ 97  783926.4;  98  72081.55;  99  28576.24;  107  18837.74;  108  4672.379;
+ 109  94070.01;  110  19925.21;  111  63257.02;  112  9586.445;  121  10934.92;
+ 122  4657.398;  123  202421.6;  124  48996.84;  125  34255.36;  126  4700.98;
+ 136  11733.28;  137  129611.6;  138  46124.28;  139  8792.376;  151  50472.57;
+ 152  11439.88;  165  30331.49;  166  8015.007;  167  4266.301;  178  8110.604;
+ 179  82354.19;  180  73786.02;  181  10846.06;  193  15731.71;  194  10088.98;
+ 235  10498.47;  236  8263.25;  249  10464.03;  250  2503.084;  277  10148.29;
+ 292  13250.33;  293  3193.92;
+
+Name: Unknown 45
+DB.idx: -45
+rt: 8.998
+Class: Unknown
+rt.sd: 0.0032
+Num Peaks: 19
+ 59  33754.05;  61  17605.96;  62  1422.375;  70  26784.73;  73  779078.7;
+ 75  205341.3;  76  16788.45;  102  48597.07;  128  6053.587;  144  506922.8;
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+ 189  61390.09;  202  203495.4;  203  31609.37;  215  13743.52;
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+Name: Unknown 46
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+rt: 17.214
+Class: Unknown
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+Num Peaks: 30
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+Name: Unknown 47
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+rt: 17.397
+Class: Unknown
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+Num Peaks: 22
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+Name: Unknown 48
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+Name: Unknown 49
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+rt: 9.298
+Class: Unknown
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+Name: Unknown 50
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+Name: Unknown 51
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+Name: Unknown 52
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+Name: Unknown 53
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+Name: Unknown 54
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+Name: Unknown 55
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+Name: Unknown 56
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+Name: Unknown 57
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+Name: Unknown 58
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+Name: Unknown 59
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+Name: Unknown 60
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+Name: Unknown 61
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+Name: Unknown 64
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+Name: Unknown 65
+DB.idx: -65
+rt: 17.142
+Class: Unknown
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+Num Peaks: 15
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+Name: Unknown 66
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+rt: 30.163
+Class: Unknown
+rt.sd: 0.0036
+Num Peaks: 83
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+Name: Unknown 67
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+Class: Unknown
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+Name: Unknown 68
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+Name: Unknown 69
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+Class: Unknown
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+Name: Unknown 70
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+Name: Unknown 71
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+Name: Unknown 72
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+Name: Unknown 73
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+Name: Unknown 74
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+Name: Unknown 75
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+Name: Unknown 76
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+Name: Unknown 77
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+Name: Unknown 78
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+Name: Unknown 79
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+Name: Unknown 80
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+Name: Unknown 81
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+Name: Unknown 82
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+Name: Unknown 83
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+Name: Unknown 85
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+Name: Unknown 86
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+Name: Unknown 87
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+Name: Unknown 90
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+Name: Unknown 91
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+Name: Unknown 92
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+Name: Unknown 98
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+Name: Unknown 99
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+Name: Unknown 100
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+Name: Unknown 101
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+Name: Unknown 102
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+Name: Unknown 103
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+Name: Unknown 104
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+Name: Unknown 105
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+Name: Unknown 106
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+Name: Unknown 107
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+Name: Unknown 108
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+Name: Unknown 110
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+Name: Unknown 133
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+Name: Unknown 135
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+Name: Unknown 136
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+Name: Unknown 196
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+Name: Unknown 197
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+Name: Unknown 198
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+Name: Unknown 199
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+Name: Unknown 200
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+Name: Unknown 201
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+Name: Unknown 202
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+Name: Unknown 203
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+Name: Unknown 204
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+Name: Unknown 205
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+Name: Unknown 206
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+Name: Unknown 207
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+Name: Unknown 208
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+Name: Unknown 209
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+Name: Unknown 213
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
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+</script><title>Golm Search Results</title></head><body><div class='mdl-layout mdl-js-layout mdl-layout--fixed-header'> <header class='mdl-layout__header'><div class='mdl-layout__header-row'> <span class='mdl-layout-title'><h3><b>Visualization of Golm Database Results</b></h3></span></div><div class='mdl-layout__tab-bar mdl-js-ripple-effect'> <a href='#fixed-tab-1' class='mdl-layout__tab is-active'><b>Table</b></a> <a href='#fixed-tab-2' class='mdl-layout__tab'><b>Help</b></a></div> </header> <main class='mdl-layout__content'> <section class='mdl-layout__tab-panel is-active' id='fixed-tab-1'><div class='page-content'><table id='table_id' class='display stripe' cellspacing='0' width='100%' ><thead><tr><th colspan='1'></th><th colspan='2' style='text-align:center'>NAMES</th><th colspan='2' style='text-align:center'>RETENTION INFOS</th><th colspan='5' style='text-align:center'>DISTANCE SCORES</th><th colspan='3' style='text-align:center'>IDs</th></tr><tr><th style='text-align:center;border-left: 1px solid #A7A7A7;'>N° Spectres</th><th style='text-align:center;border-left: 1px solid #A7A7A7;'>Spectrum</th><th style='text-align:center;border-right: 1px solid #A7A7A7;'>Analyte</th><th style='text-align:center'>Retention Index</th><th style='text-align:center;border-right: 1px solid #A7A7A7;'>RI Discrepancy</th><th style='text-align:center'>Dot product</th><th style='text-align:center'>Euclidean</th><th style='text-align:center'>Jaccard</th><th style='text-align:center'>Hamming</th><th style='text-align:center;border-right: 1px solid #A7A7A7;'>s12 Gower-Legendre</th><th style='text-align:center'>Spectrum id</th><th style='text-align:center'>Metabolite id</th><th style='text-align:center;border-right: 1px solid #A7A7A7;'>Analyte id</th></tr></thead><tfoot><tr><th style='text-align:center'>N° Spectre</th><th style='text-align:center'>Spectrum</th><th style='text-align:center'>Analyte</th><th style='text-align:center'>Retention Index</th><th style='text-align:center'>RI Discrepancy</th><th style='text-align:center'>Dot product</th><th style='text-align:center'>Euclidean</th><th style='text-align:center'>Jaccard</th><th style='text-align:center'>Hamming</th><th style='text-align:center'>s12 Gower-Legendre</th><th style='text-align:center'>Spectrum id</th><th style='text-align:center'>Metabolite id</th><th style='text-align:center'>Analyte id</th></tr></tfoot><tbody> <tr><td>1</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/833ab58c-a8fa-4389-8b42-95e618cafb91.aspx' target='_blank'>Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-12]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/0a2b3536-2245-4c0e-bdbc-495766eeec67.aspx' target='_blank'>Glucose (1MEOX) (5TMS) BP</a></td><td>1899.05493</td><td>1.054953</td><td>0.4861827</td><td>0.0871585</td><td>0.8515625</td><td>109</td><td>0.784043431</td><td>833ab58c-a8fa-4389-8b42-95e618cafb91</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/68513255-fc44-4041-bc4b-4fd2fae7541d.aspx' target='_blank'>68513255-fc44-4041-bc4b-4fd2fae7541d</a></td><td>0a2b3536-2245-4c0e-bdbc-495766eeec67</td></tr> <tr><td>1</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/6e056b61-4da9-46e3-970b-680a22e4afd0.aspx' target='_blank'>Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--6]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/1c3ad0aa-ee78-4542-93b3-aa9fdf07add1.aspx' target='_blank'>Galactose (1MEOX) (5TMS) BP</a></td><td>1902.42212</td><td>4.422119</td><td>0.4875465</td><td>0.0869417042</td><td>0.852713168</td><td>110</td><td>0.784997046</td><td>6e056b61-4da9-46e3-970b-680a22e4afd0</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/dd3ea070-54a6-4ea7-b99b-a6e975fdd204.aspx' target='_blank'>dd3ea070-54a6-4ea7-b99b-a6e975fdd204</a></td><td>1c3ad0aa-ee78-4542-93b3-aa9fdf07add1</td></tr> <tr><td>1</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/d00de57d-6fab-49d0-9aee-25e259da9180.aspx' target='_blank'>Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/6f4e926f-d7ef-47b6-a52c-91ff88ca567a.aspx' target='_blank'>Idose (1MEOX) (5TMS) BP</a></td><td>1897.25439</td><td>0.745605469</td><td>0.4901554</td><td>0.0861777</td><td>0.8560606</td><td>113</td><td>0.7877858</td><td>d00de57d-6fab-49d0-9aee-25e259da9180</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/ab025068-f464-4bc6-9c92-994c29387db2.aspx' target='_blank'>ab025068-f464-4bc6-9c92-994c29387db2</a></td><td>6f4e926f-d7ef-47b6-a52c-91ff88ca567a</td></tr> <tr><td>1</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/817f2a03-9df5-46e3-973c-b2a9675109cf.aspx' target='_blank'>Allantoin (5TMS) [A188009-ambient-na-5]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/65bb54d2-6bf7-4a53-aa22-8abf71240005.aspx' target='_blank'>Allantoin (5TMS)</a></td><td>1896.99829</td><td>1.001709</td><td>0.4914575</td><td>0.09410148</td><td>0.8558559</td><td>95</td><td>0.804233432</td><td>817f2a03-9df5-46e3-973c-b2a9675109cf</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/a999f0d6-0285-41d9-a6ba-b705987b663c.aspx' target='_blank'>a999f0d6-0285-41d9-a6ba-b705987b663c</a></td><td>65bb54d2-6bf7-4a53-aa22-8abf71240005</td></tr> <tr><td>1</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/27d4dcdd-d351-4976-8ef9-76a0cc53f631.aspx' target='_blank'>Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/96441b61-2891-4e81-93dc-d0fc0ad175d4.aspx' target='_blank'>Glucose, U-13C- (1MEOX) (5TMS) BP</a></td><td>1901.63</td><td>3.63</td><td>0.497226775</td><td>0.0910335854</td><td>0.85</td><td>102</td><td>0.788321555</td><td>27d4dcdd-d351-4976-8ef9-76a0cc53f631</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/441faccb-2631-4e7d-b6ca-99437265ccb8.aspx' target='_blank'>441faccb-2631-4e7d-b6ca-99437265ccb8</a></td><td>96441b61-2891-4e81-93dc-d0fc0ad175d4</td></tr> <tr><td>2</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>3</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/833ab58c-a8fa-4389-8b42-95e618cafb91.aspx' target='_blank'>Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-12]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/0a2b3536-2245-4c0e-bdbc-495766eeec67.aspx' target='_blank'>Glucose (1MEOX) (5TMS) BP</a></td><td>1899.05493</td><td>1.054953</td><td>0.487051964</td><td>0.0868976042</td><td>0.8604651</td><td>111</td><td>0.79687</td><td>833ab58c-a8fa-4389-8b42-95e618cafb91</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/68513255-fc44-4041-bc4b-4fd2fae7541d.aspx' target='_blank'>68513255-fc44-4041-bc4b-4fd2fae7541d</a></td><td>0a2b3536-2245-4c0e-bdbc-495766eeec67</td></tr> <tr><td>3</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/6e056b61-4da9-46e3-970b-680a22e4afd0.aspx' target='_blank'>Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--6]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/1c3ad0aa-ee78-4542-93b3-aa9fdf07add1.aspx' target='_blank'>Galactose (1MEOX) (5TMS) BP</a></td><td>1902.42212</td><td>4.422119</td><td>0.4883618</td><td>0.08667906</td><td>0.86153847</td><td>112</td><td>0.797758937</td><td>6e056b61-4da9-46e3-970b-680a22e4afd0</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/dd3ea070-54a6-4ea7-b99b-a6e975fdd204.aspx' target='_blank'>dd3ea070-54a6-4ea7-b99b-a6e975fdd204</a></td><td>1c3ad0aa-ee78-4542-93b3-aa9fdf07add1</td></tr> <tr><td>3</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/d00de57d-6fab-49d0-9aee-25e259da9180.aspx' target='_blank'>Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/6f4e926f-d7ef-47b6-a52c-91ff88ca567a.aspx' target='_blank'>Idose (1MEOX) (5TMS) BP</a></td><td>1897.25439</td><td>0.745605469</td><td>0.491137743</td><td>0.0859391</td><td>0.864661634</td><td>115</td><td>0.8003591</td><td>d00de57d-6fab-49d0-9aee-25e259da9180</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/ab025068-f464-4bc6-9c92-994c29387db2.aspx' target='_blank'>ab025068-f464-4bc6-9c92-994c29387db2</a></td><td>6f4e926f-d7ef-47b6-a52c-91ff88ca567a</td></tr> <tr><td>3</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/817f2a03-9df5-46e3-973c-b2a9675109cf.aspx' target='_blank'>Allantoin (5TMS) [A188009-ambient-na-5]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/65bb54d2-6bf7-4a53-aa22-8abf71240005.aspx' target='_blank'>Allantoin (5TMS)</a></td><td>1896.99829</td><td>1.001709</td><td>0.4918884</td><td>0.09372151</td><td>0.8660714</td><td>97</td><td>0.817842841</td><td>817f2a03-9df5-46e3-973c-b2a9675109cf</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/a999f0d6-0285-41d9-a6ba-b705987b663c.aspx' target='_blank'>a999f0d6-0285-41d9-a6ba-b705987b663c</a></td><td>65bb54d2-6bf7-4a53-aa22-8abf71240005</td></tr> <tr><td>3</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/27d4dcdd-d351-4976-8ef9-76a0cc53f631.aspx' target='_blank'>Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/96441b61-2891-4e81-93dc-d0fc0ad175d4.aspx' target='_blank'>Glucose, U-13C- (1MEOX) (5TMS) BP</a></td><td>1901.63</td><td>3.63</td><td>0.49828127</td><td>0.0907527059</td><td>0.8595041</td><td>104</td><td>0.8015494</td><td>27d4dcdd-d351-4976-8ef9-76a0cc53f631</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/441faccb-2631-4e7d-b6ca-99437265ccb8.aspx' target='_blank'>441faccb-2631-4e7d-b6ca-99437265ccb8</a></td><td>96441b61-2891-4e81-93dc-d0fc0ad175d4</td></tr> <tr><td>4</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> </tbody></table></div><div class='mdl-tooltip mdl-tooltip--bottom' for='mytooltip1'> print</div><div class='mdl-tooltip mdl-tooltip--bottom' for='mytooltip2'> copy</div><div class='mdl-tooltip mdl-tooltip--bottom' for='mytooltip3'> export</div> </section> <section class='mdl-layout__tab-panel' id='fixed-tab-2'><div class='page-content'><center> </br></br><div class='card-wide mdl-card mdl-shadow--3dp'> <figure class='mdl-card__media' style='background-color: white'> <img src='http://m.hiapphere.com/data/icon/201506/HiAppHere_com_com.javiersantos.materialid.png' style='height: 60px; width: 60px;'> </figure><div class='mdl-card__title'><h1 class='mdl-card__title-text'>What can the table do ?</h1></div><div class='mdl-card__supporting-text'><ul class='list-icon mdl-list'><li class='mdl-list__item'> <span class='mdl-list__item-primary-content'> <i class='material-icons mdl-list__item-icon'>filter_list</i> By default, the spectra numbers (N° Spectra) are ordered by ascending values. You can manage your data ordering as you wish. You can even order data according to multiple columns: SHIFT + LEFT CLICK on column headers. This will order by the first column clicked, then the second, etc. You can sort data specifically by clicking on any entry in boxes under each columns. </span></li><li class='mdl-list__item'> <span class='mdl-list__item-primary-content'> <i class='material-icons mdl-list__item-icon'>delete_sweep</i> You can delete multiple entries that are selected: Select wanted entries and click on the button DELETE SELECTED ROWS. </span></li><li class='mdl-list__item'> <span class='mdl-list__item-primary-content'> <i class='material-icons mdl-list__item-icon'>remove_red_eye</i> You have the possibility to toggle columns by clicking on SHOW MORE. </span></li><li class='mdl-list__item'> <span class='mdl-list__item-primary-content'> <i class='material-icons mdl-list__item-icon'>save</i> You can print, copy, or export to excel and csv the table on its actual state, with the three buttons right above the table. </span></li></ul></div></div> </br><div id="large_card" class='card-wide mdl-card mdl-shadow--3dp'> <figure class='mdl-card__media' style='background-color: white'> <img src='http://image005.flaticon.com/1/svg/125/125279.svg' style='height: 60px; width: 60px;'> </figure><div class='mdl-card__title'><h1 class='mdl-card__title-text'>Distances scores</h1></div><div class='mdl-card__supporting-text'><table id="dist_table" style="color: rgba(0,0,0,.87);"><tr><td style="padding-right:10px;><b style="white-space: nowrap;"><b>S12Gower-Legendre Distance</b></td><td> The distance measure S12GowLeg = sqrt(1 - s12) is derived from the S12 coefficient of Gower & Legendre defined as s12 = a / sqrt((a + b)(a + c)), with "a" representing the number of positions at which both spectra are in "on-state" and "b" respectively "c" representing the number of positions at which only the query spectrum or the hit spectrum are in "on-state".</td></tr><tr><td style="padding-right:10px;"><b style="white-space: nowrap;">Hamming Distance</b></td><td> In information theory, the Hamming distance between two strings of equal length is the number of positions for which the corresponding symbols are different. Put another way, it measures the minimum number of substitutions required to change one into the other, or the number of errors that transformed one string into the other.</td></tr><tr><td style="padding-right:10px;"><b style="white-space: nowrap;">Jaccard Distance</b></td><td>Number of matches (a mass with appropriate intensity in both spectra) divided by the sum of matches and mismatches (a mass where only one of both spectra has a intensity). The jaccard distance is a binary distance.</td></tr><tr><td style="padding-right:10px;"><b style="white-space: nowrap;padding-right:60px;">Dotproduct Distance</b></td><td>The Dotproduct distance is summing the multiplied intensities over all matching peaks within both spectra. Here, to satisfy the conditions of a metric I) non-negativity, II) identity of indiscernibles, III) symmetry and IV) subadditivity / triangle inequality, we use 1-Dotproduct. Both spectra are normalised prior to the spectral vector norm in that way, that the absolute value of the squared intensities is equal to 1.</td></tr><tr><td style="padding-right:10px;"><b style="white-space: nowrap;padding-right:60px;">Euclidean Distance</b></td><td>The Euclid is the square root of the sum of the squared differences over all matching peaks.</td></tr></table></div></div></div> </br></br></center> </section> </main></div></body></html>
+
+
\ No newline at end of file
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/output01.tabular	Mon Dec 05 08:32:04 2016 -0500
@@ -0,0 +1,13 @@
+"Num Spectre"	"Analyte Name"	"Spectrum Name"	"Retention Index"	"RI Discrepancy"	"DotproductDistance"	"EuclideanDistance"	"JaccardDistance"	"HammingDistance"	"s12GowerLegendreDistance"	"Spectrum ID"	"Metabolite ID"	"Analyte ID"
+"1"	"Glucose (1MEOX) (5TMS) BP"	"Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-12]"	"1899.05493"	"1.054953"	"0.4861827"	"0.0871585"	"0.8515625"	"109"	"0.784043431"	"833ab58c-a8fa-4389-8b42-95e618cafb91"	"68513255-fc44-4041-bc4b-4fd2fae7541d"	"0a2b3536-2245-4c0e-bdbc-495766eeec67"
+"1"	"Galactose (1MEOX) (5TMS) BP"	"Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--6]"	"1902.42212"	"4.422119"	"0.4875465"	"0.0869417042"	"0.852713168"	"110"	"0.784997046"	"6e056b61-4da9-46e3-970b-680a22e4afd0"	"dd3ea070-54a6-4ea7-b99b-a6e975fdd204"	"1c3ad0aa-ee78-4542-93b3-aa9fdf07add1"
+"1"	"Idose (1MEOX) (5TMS) BP"	"Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]"	"1897.25439"	"0.745605469"	"0.4901554"	"0.0861777"	"0.8560606"	"113"	"0.7877858"	"d00de57d-6fab-49d0-9aee-25e259da9180"	"ab025068-f464-4bc6-9c92-994c29387db2"	"6f4e926f-d7ef-47b6-a52c-91ff88ca567a"
+"1"	"Allantoin (5TMS)"	"Allantoin (5TMS) [A188009-ambient-na-5]"	"1896.99829"	"1.001709"	"0.4914575"	"0.09410148"	"0.8558559"	"95"	"0.804233432"	"817f2a03-9df5-46e3-973c-b2a9675109cf"	"a999f0d6-0285-41d9-a6ba-b705987b663c"	"65bb54d2-6bf7-4a53-aa22-8abf71240005"
+"1"	"Glucose, U-13C- (1MEOX) (5TMS) BP"	"Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]"	"1901.63"	"3.63"	"0.497226775"	"0.0910335854"	"0.85"	"102"	"0.788321555"	"27d4dcdd-d351-4976-8ef9-76a0cc53f631"	"441faccb-2631-4e7d-b6ca-99437265ccb8"	"96441b61-2891-4e81-93dc-d0fc0ad175d4"
+"2"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"3"	"Glucose (1MEOX) (5TMS) BP"	"Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-12]"	"1899.05493"	"1.054953"	"0.487051964"	"0.0868976042"	"0.8604651"	"111"	"0.79687"	"833ab58c-a8fa-4389-8b42-95e618cafb91"	"68513255-fc44-4041-bc4b-4fd2fae7541d"	"0a2b3536-2245-4c0e-bdbc-495766eeec67"
+"3"	"Galactose (1MEOX) (5TMS) BP"	"Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--6]"	"1902.42212"	"4.422119"	"0.4883618"	"0.08667906"	"0.86153847"	"112"	"0.797758937"	"6e056b61-4da9-46e3-970b-680a22e4afd0"	"dd3ea070-54a6-4ea7-b99b-a6e975fdd204"	"1c3ad0aa-ee78-4542-93b3-aa9fdf07add1"
+"3"	"Idose (1MEOX) (5TMS) BP"	"Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]"	"1897.25439"	"0.745605469"	"0.491137743"	"0.0859391"	"0.864661634"	"115"	"0.8003591"	"d00de57d-6fab-49d0-9aee-25e259da9180"	"ab025068-f464-4bc6-9c92-994c29387db2"	"6f4e926f-d7ef-47b6-a52c-91ff88ca567a"
+"3"	"Allantoin (5TMS)"	"Allantoin (5TMS) [A188009-ambient-na-5]"	"1896.99829"	"1.001709"	"0.4918884"	"0.09372151"	"0.8660714"	"97"	"0.817842841"	"817f2a03-9df5-46e3-973c-b2a9675109cf"	"a999f0d6-0285-41d9-a6ba-b705987b663c"	"65bb54d2-6bf7-4a53-aa22-8abf71240005"
+"3"	"Glucose, U-13C- (1MEOX) (5TMS) BP"	"Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]"	"1901.63"	"3.63"	"0.49828127"	"0.0907527059"	"0.8595041"	"104"	"0.8015494"	"27d4dcdd-d351-4976-8ef9-76a0cc53f631"	"441faccb-2631-4e7d-b6ca-99437265ccb8"	"96441b61-2891-4e81-93dc-d0fc0ad175d4"
+"4"	""	"no results"	""	""	""	""	""	""	""	""	""	""
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/output01.txt	Mon Dec 05 08:32:04 2016 -0500
@@ -0,0 +1,13 @@
+Num Spectre	Analyte Name	Spectrum Name	Retention Index	RI Discrepancy	DotproductDistance	EuclideanDistance	JaccardDistance	HammingDistance	s12GowerLegendreDistance	Spectrum ID	Metabolite ID	Analyte ID
+1	Glucose (1MEOX) (5TMS) BP	Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-12]	1899.05493	1.054953	0.4861827	0.0871585	0.8515625	109	0.784043431	833ab58c-a8fa-4389-8b42-95e618cafb91	68513255-fc44-4041-bc4b-4fd2fae7541d	0a2b3536-2245-4c0e-bdbc-495766eeec67
+1	Galactose (1MEOX) (5TMS) BP	Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--6]	1902.42212	4.422119	0.4875465	0.0869417042	0.852713168	110	0.784997046	6e056b61-4da9-46e3-970b-680a22e4afd0	dd3ea070-54a6-4ea7-b99b-a6e975fdd204	1c3ad0aa-ee78-4542-93b3-aa9fdf07add1
+1	Idose (1MEOX) (5TMS) BP	Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]	1897.25439	0.745605469	0.4901554	0.0861777	0.8560606	113	0.7877858	d00de57d-6fab-49d0-9aee-25e259da9180	ab025068-f464-4bc6-9c92-994c29387db2	6f4e926f-d7ef-47b6-a52c-91ff88ca567a
+1	Allantoin (5TMS)	Allantoin (5TMS) [A188009-ambient-na-5]	1896.99829	1.001709	0.4914575	0.09410148	0.8558559	95	0.804233432	817f2a03-9df5-46e3-973c-b2a9675109cf	a999f0d6-0285-41d9-a6ba-b705987b663c	65bb54d2-6bf7-4a53-aa22-8abf71240005
+1	Glucose, U-13C- (1MEOX) (5TMS) BP	Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]	1901.63	3.63	0.497226775	0.0910335854	0.85	102	0.788321555	27d4dcdd-d351-4976-8ef9-76a0cc53f631	441faccb-2631-4e7d-b6ca-99437265ccb8	96441b61-2891-4e81-93dc-d0fc0ad175d4
+2		no results
+3	Glucose (1MEOX) (5TMS) BP	Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-12]	1899.05493	1.054953	0.487051964	0.0868976042	0.8604651	111	0.79687	833ab58c-a8fa-4389-8b42-95e618cafb91	68513255-fc44-4041-bc4b-4fd2fae7541d	0a2b3536-2245-4c0e-bdbc-495766eeec67
+3	Galactose (1MEOX) (5TMS) BP	Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--6]	1902.42212	4.422119	0.4883618	0.08667906	0.86153847	112	0.797758937	6e056b61-4da9-46e3-970b-680a22e4afd0	dd3ea070-54a6-4ea7-b99b-a6e975fdd204	1c3ad0aa-ee78-4542-93b3-aa9fdf07add1
+3	Idose (1MEOX) (5TMS) BP	Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]	1897.25439	0.745605469	0.491137743	0.0859391	0.864661634	115	0.8003591	d00de57d-6fab-49d0-9aee-25e259da9180	ab025068-f464-4bc6-9c92-994c29387db2	6f4e926f-d7ef-47b6-a52c-91ff88ca567a
+3	Allantoin (5TMS)	Allantoin (5TMS) [A188009-ambient-na-5]	1896.99829	1.001709	0.4918884	0.09372151	0.8660714	97	0.817842841	817f2a03-9df5-46e3-973c-b2a9675109cf	a999f0d6-0285-41d9-a6ba-b705987b663c	65bb54d2-6bf7-4a53-aa22-8abf71240005
+3	Glucose, U-13C- (1MEOX) (5TMS) BP	Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]	1901.63	3.63	0.49828127	0.0907527059	0.8595041	104	0.8015494	27d4dcdd-d351-4976-8ef9-76a0cc53f631	441faccb-2631-4e7d-b6ca-99437265ccb8	96441b61-2891-4e81-93dc-d0fc0ad175d4
+4		no results
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/output02.html	Mon Dec 05 08:32:04 2016 -0500
@@ -0,0 +1,11 @@
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+</script><title>Golm Search Results</title></head><body><div class='mdl-layout mdl-js-layout mdl-layout--fixed-header'> <header class='mdl-layout__header'><div class='mdl-layout__header-row'> <span class='mdl-layout-title'><h3><b>Visualization of Golm Database Results</b></h3></span></div><div class='mdl-layout__tab-bar mdl-js-ripple-effect'> <a href='#fixed-tab-1' class='mdl-layout__tab is-active'><b>Table</b></a> <a href='#fixed-tab-2' class='mdl-layout__tab'><b>Help</b></a></div> </header> <main class='mdl-layout__content'> <section class='mdl-layout__tab-panel is-active' id='fixed-tab-1'><div class='page-content'><table id='table_id' class='display stripe' cellspacing='0' width='100%' ><thead><tr><th colspan='1'></th><th colspan='2' style='text-align:center'>NAMES</th><th colspan='2' style='text-align:center'>RETENTION INFOS</th><th colspan='5' style='text-align:center'>DISTANCE SCORES</th><th colspan='3' style='text-align:center'>IDs</th></tr><tr><th style='text-align:center;border-left: 1px solid #A7A7A7;'>N° Spectres</th><th style='text-align:center;border-left: 1px solid #A7A7A7;'>Spectrum</th><th style='text-align:center;border-right: 1px solid #A7A7A7;'>Analyte</th><th style='text-align:center'>Retention Index</th><th style='text-align:center;border-right: 1px solid #A7A7A7;'>RI Discrepancy</th><th style='text-align:center'>Dot product</th><th style='text-align:center'>Euclidean</th><th style='text-align:center'>Jaccard</th><th style='text-align:center'>Hamming</th><th style='text-align:center;border-right: 1px solid #A7A7A7;'>s12 Gower-Legendre</th><th style='text-align:center'>Spectrum id</th><th style='text-align:center'>Metabolite id</th><th style='text-align:center;border-right: 1px solid #A7A7A7;'>Analyte id</th></tr></thead><tfoot><tr><th style='text-align:center'>N° Spectre</th><th style='text-align:center'>Spectrum</th><th style='text-align:center'>Analyte</th><th style='text-align:center'>Retention Index</th><th style='text-align:center'>RI Discrepancy</th><th style='text-align:center'>Dot product</th><th style='text-align:center'>Euclidean</th><th style='text-align:center'>Jaccard</th><th style='text-align:center'>Hamming</th><th style='text-align:center'>s12 Gower-Legendre</th><th style='text-align:center'>Spectrum id</th><th style='text-align:center'>Metabolite id</th><th style='text-align:center'>Analyte id</th></tr></tfoot><tbody> <tr><td>1</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/dd5bb721-ce4f-4cec-99ff-de2cb818304d.aspx' target='_blank'>Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-23]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/0a2b3536-2245-4c0e-bdbc-495766eeec67.aspx' target='_blank'>Glucose (1MEOX) (5TMS) BP</a></td><td>1899.05493</td><td>1.054953</td><td>0.00376573764</td><td>0.00648652157</td><td>0.2849162</td><td>51</td><td>0.404159725</td><td>dd5bb721-ce4f-4cec-99ff-de2cb818304d</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/68513255-fc44-4041-bc4b-4fd2fae7541d.aspx' target='_blank'>68513255-fc44-4041-bc4b-4fd2fae7541d</a></td><td>0a2b3536-2245-4c0e-bdbc-495766eeec67</td></tr> <tr><td>1</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/d00de57d-6fab-49d0-9aee-25e259da9180.aspx' target='_blank'>Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/6f4e926f-d7ef-47b6-a52c-91ff88ca567a.aspx' target='_blank'>Idose (1MEOX) (5TMS) BP</a></td><td>1897.25439</td><td>0.745605469</td><td>0.0041610254</td><td>0.007327365</td><td>0.238709673</td><td>37</td><td>0.367506444</td><td>d00de57d-6fab-49d0-9aee-25e259da9180</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/ab025068-f464-4bc6-9c92-994c29387db2.aspx' target='_blank'>ab025068-f464-4bc6-9c92-994c29387db2</a></td><td>6f4e926f-d7ef-47b6-a52c-91ff88ca567a</td></tr> <tr><td>1</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/c1226b8e-944e-4d32-ae01-8a9d12465d34.aspx' target='_blank'>Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--9]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/1c3ad0aa-ee78-4542-93b3-aa9fdf07add1.aspx' target='_blank'>Galactose (1MEOX) (5TMS) BP</a></td><td>1902.42212</td><td>4.422119</td><td>0.004838638</td><td>0.007118009</td><td>0.31937173</td><td>61</td><td>0.428936034</td><td>c1226b8e-944e-4d32-ae01-8a9d12465d34</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/dd3ea070-54a6-4ea7-b99b-a6e975fdd204.aspx' target='_blank'>dd3ea070-54a6-4ea7-b99b-a6e975fdd204</a></td><td>1c3ad0aa-ee78-4542-93b3-aa9fdf07add1</td></tr> <tr><td>1</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/2b364030-9fa7-4066-b685-52d7946110a6.aspx' target='_blank'>Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/da9d76f5-a2af-4fd1-89e1-c8426ad16980.aspx' target='_blank'>Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP</a></td><td>1893.44385</td><td>4.55619574</td><td>0.048192542</td><td>0.02056068</td><td>0.4473684</td><td>102</td><td>0.5224351</td><td>2b364030-9fa7-4066-b685-52d7946110a6</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/00ce759f-d1f9-492e-89f7-b7400a34c72d.aspx' target='_blank'>00ce759f-d1f9-492e-89f7-b7400a34c72d</a></td><td>da9d76f5-a2af-4fd1-89e1-c8426ad16980</td></tr> <tr><td>1</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/27d4dcdd-d351-4976-8ef9-76a0cc53f631.aspx' target='_blank'>Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/96441b61-2891-4e81-93dc-d0fc0ad175d4.aspx' target='_blank'>Glucose, U-13C- (1MEOX) (5TMS) BP</a></td><td>1901.63</td><td>3.63</td><td>0.0682447553</td><td>0.027927408</td><td>0.514285743</td><td>90</td><td>0.586345</td><td>27d4dcdd-d351-4976-8ef9-76a0cc53f631</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/441faccb-2631-4e7d-b6ca-99437265ccb8.aspx' target='_blank'>441faccb-2631-4e7d-b6ca-99437265ccb8</a></td><td>96441b61-2891-4e81-93dc-d0fc0ad175d4</td></tr> <tr><td>1</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/063fa226-ed62-4d9f-9d5c-ee52c0974e55.aspx' target='_blank'>Allantoin (5TMS) [A188009-ambient-na-6]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/65bb54d2-6bf7-4a53-aa22-8abf71240005.aspx' target='_blank'>Allantoin (5TMS)</a></td><td>1896.99829</td><td>1.001709</td><td>0.07800486</td><td>0.02792935</td><td>0.615</td><td>123</td><td>0.6662978</td><td>063fa226-ed62-4d9f-9d5c-ee52c0974e55</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/a999f0d6-0285-41d9-a6ba-b705987b663c.aspx' target='_blank'>a999f0d6-0285-41d9-a6ba-b705987b663c</a></td><td>65bb54d2-6bf7-4a53-aa22-8abf71240005</td></tr> <tr><td>1</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/85927200-53a4-492a-ad57-0a7b1d8a6e85.aspx' target='_blank'>Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/2665f816-5c52-45ed-901e-4481cf048257.aspx' target='_blank'>Erythrose-4-phosphate (1MEOX) (4TMS) MP</a></td><td>1895.98438</td><td>2.01558065</td><td>0.0896345749</td><td>0.0207340773</td><td>0.6666667</td><td>278</td><td>0.6522111</td><td>85927200-53a4-492a-ad57-0a7b1d8a6e85</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/d4f07f67-d45b-43b6-bd4c-d08708d1a7ad.aspx' target='_blank'>d4f07f67-d45b-43b6-bd4c-d08708d1a7ad</a></td><td>2665f816-5c52-45ed-901e-4481cf048257</td></tr> <tr><td>1</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/8bbd7202-8794-4486-8b16-61d8dff4c5bd.aspx' target='_blank'>Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-9]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/163bf790-e995-46a9-8059-446172ddca0f.aspx' target='_blank'>Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP</a></td><td>1902.77417</td><td>4.77417</td><td>0.111977287</td><td>0.0264962576</td><td>0.6551724</td><td>209</td><td>0.673893869</td><td>8bbd7202-8794-4486-8b16-61d8dff4c5bd</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/87e988c4-f26c-4e03-9a40-1b0c0b36ca67.aspx' target='_blank'>87e988c4-f26c-4e03-9a40-1b0c0b36ca67</a></td><td>163bf790-e995-46a9-8059-446172ddca0f</td></tr> </tbody></table></div><div class='mdl-tooltip mdl-tooltip--bottom' for='mytooltip1'> print</div><div class='mdl-tooltip mdl-tooltip--bottom' for='mytooltip2'> copy</div><div class='mdl-tooltip mdl-tooltip--bottom' for='mytooltip3'> export</div> </section> <section class='mdl-layout__tab-panel' id='fixed-tab-2'><div class='page-content'><center> </br></br><div class='card-wide mdl-card mdl-shadow--3dp'> <figure class='mdl-card__media' style='background-color: white'> <img src='http://m.hiapphere.com/data/icon/201506/HiAppHere_com_com.javiersantos.materialid.png' style='height: 60px; width: 60px;'> </figure><div class='mdl-card__title'><h1 class='mdl-card__title-text'>What can the table do ?</h1></div><div class='mdl-card__supporting-text'><ul class='list-icon mdl-list'><li class='mdl-list__item'> <span class='mdl-list__item-primary-content'> <i class='material-icons mdl-list__item-icon'>filter_list</i> By default, the spectra numbers (N° Spectra) are ordered by ascending values. You can manage your data ordering as you wish. You can even order data according to multiple columns: SHIFT + LEFT CLICK on column headers. This will order by the first column clicked, then the second, etc. You can sort data specifically by clicking on any entry in boxes under each columns. </span></li><li class='mdl-list__item'> <span class='mdl-list__item-primary-content'> <i class='material-icons mdl-list__item-icon'>delete_sweep</i> You can delete multiple entries that are selected: Select wanted entries and click on the button DELETE SELECTED ROWS. </span></li><li class='mdl-list__item'> <span class='mdl-list__item-primary-content'> <i class='material-icons mdl-list__item-icon'>remove_red_eye</i> You have the possibility to toggle columns by clicking on SHOW MORE. </span></li><li class='mdl-list__item'> <span class='mdl-list__item-primary-content'> <i class='material-icons mdl-list__item-icon'>save</i> You can print, copy, or export to excel and csv the table on its actual state, with the three buttons right above the table. </span></li></ul></div></div> </br><div id="large_card" class='card-wide mdl-card mdl-shadow--3dp'> <figure class='mdl-card__media' style='background-color: white'> <img src='http://image005.flaticon.com/1/svg/125/125279.svg' style='height: 60px; width: 60px;'> </figure><div class='mdl-card__title'><h1 class='mdl-card__title-text'>Distances scores</h1></div><div class='mdl-card__supporting-text'><table id="dist_table" style="color: rgba(0,0,0,.87);"><tr><td style="padding-right:10px;><b style="white-space: nowrap;"><b>S12Gower-Legendre Distance</b></td><td> The distance measure S12GowLeg = sqrt(1 - s12) is derived from the S12 coefficient of Gower & Legendre defined as s12 = a / sqrt((a + b)(a + c)), with "a" representing the number of positions at which both spectra are in "on-state" and "b" respectively "c" representing the number of positions at which only the query spectrum or the hit spectrum are in "on-state".</td></tr><tr><td style="padding-right:10px;"><b style="white-space: nowrap;">Hamming Distance</b></td><td> In information theory, the Hamming distance between two strings of equal length is the number of positions for which the corresponding symbols are different. Put another way, it measures the minimum number of substitutions required to change one into the other, or the number of errors that transformed one string into the other.</td></tr><tr><td style="padding-right:10px;"><b style="white-space: nowrap;">Jaccard Distance</b></td><td>Number of matches (a mass with appropriate intensity in both spectra) divided by the sum of matches and mismatches (a mass where only one of both spectra has a intensity). The jaccard distance is a binary distance.</td></tr><tr><td style="padding-right:10px;"><b style="white-space: nowrap;padding-right:60px;">Dotproduct Distance</b></td><td>The Dotproduct distance is summing the multiplied intensities over all matching peaks within both spectra. Here, to satisfy the conditions of a metric I) non-negativity, II) identity of indiscernibles, III) symmetry and IV) subadditivity / triangle inequality, we use 1-Dotproduct. Both spectra are normalised prior to the spectral vector norm in that way, that the absolute value of the squared intensities is equal to 1.</td></tr><tr><td style="padding-right:10px;"><b style="white-space: nowrap;padding-right:60px;">Euclidean Distance</b></td><td>The Euclid is the square root of the sum of the squared differences over all matching peaks.</td></tr></table></div></div></div> </br></br></center> </section> </main></div></body></html>
+
+
\ No newline at end of file
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/output02.tabular	Mon Dec 05 08:32:04 2016 -0500
@@ -0,0 +1,9 @@
+"Num Spectre"	"Analyte Name"	"Spectrum Name"	"Retention Index"	"RI Discrepancy"	"DotproductDistance"	"EuclideanDistance"	"JaccardDistance"	"HammingDistance"	"s12GowerLegendreDistance"	"Spectrum ID"	"Metabolite ID"	"Analyte ID"
+"1"	"Glucose (1MEOX) (5TMS) BP"	"Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-23]"	"1899.05493"	"1.054953"	"0.00376573764"	"0.00648652157"	"0.2849162"	"51"	"0.404159725"	"dd5bb721-ce4f-4cec-99ff-de2cb818304d"	"68513255-fc44-4041-bc4b-4fd2fae7541d"	"0a2b3536-2245-4c0e-bdbc-495766eeec67"
+"1"	"Idose (1MEOX) (5TMS) BP"	"Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]"	"1897.25439"	"0.745605469"	"0.0041610254"	"0.007327365"	"0.238709673"	"37"	"0.367506444"	"d00de57d-6fab-49d0-9aee-25e259da9180"	"ab025068-f464-4bc6-9c92-994c29387db2"	"6f4e926f-d7ef-47b6-a52c-91ff88ca567a"
+"1"	"Galactose (1MEOX) (5TMS) BP"	"Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--9]"	"1902.42212"	"4.422119"	"0.004838638"	"0.007118009"	"0.31937173"	"61"	"0.428936034"	"c1226b8e-944e-4d32-ae01-8a9d12465d34"	"dd3ea070-54a6-4ea7-b99b-a6e975fdd204"	"1c3ad0aa-ee78-4542-93b3-aa9fdf07add1"
+"1"	"Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP"	"Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1]"	"1893.44385"	"4.55619574"	"0.048192542"	"0.02056068"	"0.4473684"	"102"	"0.5224351"	"2b364030-9fa7-4066-b685-52d7946110a6"	"00ce759f-d1f9-492e-89f7-b7400a34c72d"	"da9d76f5-a2af-4fd1-89e1-c8426ad16980"
+"1"	"Glucose, U-13C- (1MEOX) (5TMS) BP"	"Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]"	"1901.63"	"3.63"	"0.0682447553"	"0.027927408"	"0.514285743"	"90"	"0.586345"	"27d4dcdd-d351-4976-8ef9-76a0cc53f631"	"441faccb-2631-4e7d-b6ca-99437265ccb8"	"96441b61-2891-4e81-93dc-d0fc0ad175d4"
+"1"	"Allantoin (5TMS)"	"Allantoin (5TMS) [A188009-ambient-na-6]"	"1896.99829"	"1.001709"	"0.07800486"	"0.02792935"	"0.615"	"123"	"0.6662978"	"063fa226-ed62-4d9f-9d5c-ee52c0974e55"	"a999f0d6-0285-41d9-a6ba-b705987b663c"	"65bb54d2-6bf7-4a53-aa22-8abf71240005"
+"1"	"Erythrose-4-phosphate (1MEOX) (4TMS) MP"	"Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]"	"1895.98438"	"2.01558065"	"0.0896345749"	"0.0207340773"	"0.6666667"	"278"	"0.6522111"	"85927200-53a4-492a-ad57-0a7b1d8a6e85"	"d4f07f67-d45b-43b6-bd4c-d08708d1a7ad"	"2665f816-5c52-45ed-901e-4481cf048257"
+"1"	"Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP"	"Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-9]"	"1902.77417"	"4.77417"	"0.111977287"	"0.0264962576"	"0.6551724"	"209"	"0.673893869"	"8bbd7202-8794-4486-8b16-61d8dff4c5bd"	"87e988c4-f26c-4e03-9a40-1b0c0b36ca67"	"163bf790-e995-46a9-8059-446172ddca0f"
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/output02.txt	Mon Dec 05 08:32:04 2016 -0500
@@ -0,0 +1,9 @@
+Num Spectre	Analyte Name	Spectrum Name	Retention Index	RI Discrepancy	DotproductDistance	EuclideanDistance	JaccardDistance	HammingDistance	s12GowerLegendreDistance	Spectrum ID	Metabolite ID	Analyte ID
+1	Glucose (1MEOX) (5TMS) BP	Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-23]	1899.05493	1.054953	0.00376573764	0.00648652157	0.2849162	51	0.404159725	dd5bb721-ce4f-4cec-99ff-de2cb818304d	68513255-fc44-4041-bc4b-4fd2fae7541d	0a2b3536-2245-4c0e-bdbc-495766eeec67
+1	Idose (1MEOX) (5TMS) BP	Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]	1897.25439	0.745605469	0.0041610254	0.007327365	0.238709673	37	0.367506444	d00de57d-6fab-49d0-9aee-25e259da9180	ab025068-f464-4bc6-9c92-994c29387db2	6f4e926f-d7ef-47b6-a52c-91ff88ca567a
+1	Galactose (1MEOX) (5TMS) BP	Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--9]	1902.42212	4.422119	0.004838638	0.007118009	0.31937173	61	0.428936034	c1226b8e-944e-4d32-ae01-8a9d12465d34	dd3ea070-54a6-4ea7-b99b-a6e975fdd204	1c3ad0aa-ee78-4542-93b3-aa9fdf07add1
+1	Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP	Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1]	1893.44385	4.55619574	0.048192542	0.02056068	0.4473684	102	0.5224351	2b364030-9fa7-4066-b685-52d7946110a6	00ce759f-d1f9-492e-89f7-b7400a34c72d	da9d76f5-a2af-4fd1-89e1-c8426ad16980
+1	Glucose, U-13C- (1MEOX) (5TMS) BP	Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]	1901.63	3.63	0.0682447553	0.027927408	0.514285743	90	0.586345	27d4dcdd-d351-4976-8ef9-76a0cc53f631	441faccb-2631-4e7d-b6ca-99437265ccb8	96441b61-2891-4e81-93dc-d0fc0ad175d4
+1	Allantoin (5TMS)	Allantoin (5TMS) [A188009-ambient-na-6]	1896.99829	1.001709	0.07800486	0.02792935	0.615	123	0.6662978	063fa226-ed62-4d9f-9d5c-ee52c0974e55	a999f0d6-0285-41d9-a6ba-b705987b663c	65bb54d2-6bf7-4a53-aa22-8abf71240005
+1	Erythrose-4-phosphate (1MEOX) (4TMS) MP	Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]	1895.98438	2.01558065	0.0896345749	0.0207340773	0.6666667	278	0.6522111	85927200-53a4-492a-ad57-0a7b1d8a6e85	d4f07f67-d45b-43b6-bd4c-d08708d1a7ad	2665f816-5c52-45ed-901e-4481cf048257
+1	Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP	Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-9]	1902.77417	4.77417	0.111977287	0.0264962576	0.6551724	209	0.673893869	8bbd7202-8794-4486-8b16-61d8dff4c5bd	87e988c4-f26c-4e03-9a40-1b0c0b36ca67	163bf790-e995-46a9-8059-446172ddca0f
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/output03.html	Mon Dec 05 08:32:04 2016 -0500
@@ -0,0 +1,11 @@
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+</script><title>Golm Search Results</title></head><body><div class='mdl-layout mdl-js-layout mdl-layout--fixed-header'> <header class='mdl-layout__header'><div class='mdl-layout__header-row'> <span class='mdl-layout-title'><h3><b>Visualization of Golm Database Results</b></h3></span></div><div class='mdl-layout__tab-bar mdl-js-ripple-effect'> <a href='#fixed-tab-1' class='mdl-layout__tab is-active'><b>Table</b></a> <a href='#fixed-tab-2' class='mdl-layout__tab'><b>Help</b></a></div> </header> <main class='mdl-layout__content'> <section class='mdl-layout__tab-panel is-active' id='fixed-tab-1'><div class='page-content'><table id='table_id' class='display stripe' cellspacing='0' width='100%' ><thead><tr><th colspan='1'></th><th colspan='2' style='text-align:center'>NAMES</th><th colspan='2' style='text-align:center'>RETENTION INFOS</th><th colspan='5' style='text-align:center'>DISTANCE SCORES</th><th colspan='3' style='text-align:center'>IDs</th></tr><tr><th style='text-align:center;border-left: 1px solid #A7A7A7;'>N° Spectres</th><th style='text-align:center;border-left: 1px solid #A7A7A7;'>Spectrum</th><th style='text-align:center;border-right: 1px solid #A7A7A7;'>Analyte</th><th style='text-align:center'>Retention Index</th><th style='text-align:center;border-right: 1px solid #A7A7A7;'>RI Discrepancy</th><th style='text-align:center'>Dot product</th><th style='text-align:center'>Euclidean</th><th style='text-align:center'>Jaccard</th><th style='text-align:center'>Hamming</th><th style='text-align:center;border-right: 1px solid #A7A7A7;'>s12 Gower-Legendre</th><th style='text-align:center'>Spectrum id</th><th style='text-align:center'>Metabolite id</th><th style='text-align:center;border-right: 1px solid #A7A7A7;'>Analyte id</th></tr></thead><tfoot><tr><th style='text-align:center'>N° Spectre</th><th style='text-align:center'>Spectrum</th><th style='text-align:center'>Analyte</th><th style='text-align:center'>Retention Index</th><th style='text-align:center'>RI Discrepancy</th><th style='text-align:center'>Dot product</th><th style='text-align:center'>Euclidean</th><th style='text-align:center'>Jaccard</th><th style='text-align:center'>Hamming</th><th style='text-align:center'>s12 Gower-Legendre</th><th style='text-align:center'>Spectrum id</th><th style='text-align:center'>Metabolite id</th><th style='text-align:center'>Analyte id</th></tr></tfoot><tbody> <tr><td>1</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/1b34c722-1fd3-4d61-a48b-da2614f96e23.aspx' target='_blank'>Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-5]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/2665f816-5c52-45ed-901e-4481cf048257.aspx' target='_blank'>Erythrose-4-phosphate (1MEOX) (4TMS) MP</a></td><td>1895.98438</td><td>2.01558065</td><td>0.417125851</td><td>0.047484044</td><td>0.6108108</td><td>226</td><td>0.628439844</td><td>1b34c722-1fd3-4d61-a48b-da2614f96e23</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/d4f07f67-d45b-43b6-bd4c-d08708d1a7ad.aspx' target='_blank'>d4f07f67-d45b-43b6-bd4c-d08708d1a7ad</a></td><td>2665f816-5c52-45ed-901e-4481cf048257</td></tr> <tr><td>2</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/34a5b91e-e473-4ed6-9a40-067e0cd944f9.aspx' target='_blank'>Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-2]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/0a2b3536-2245-4c0e-bdbc-495766eeec67.aspx' target='_blank'>Glucose (1MEOX) (5TMS) BP</a></td><td>1899.05493</td><td>1.054953</td><td>0.4496568</td><td>0.07338332</td><td>0.7784431</td><td>130</td><td>0.796108663</td><td>34a5b91e-e473-4ed6-9a40-067e0cd944f9</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/68513255-fc44-4041-bc4b-4fd2fae7541d.aspx' target='_blank'>68513255-fc44-4041-bc4b-4fd2fae7541d</a></td><td>0a2b3536-2245-4c0e-bdbc-495766eeec67</td></tr> <tr><td>2</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/9c570b75-fe0c-43b8-9311-7b8af17dd55b.aspx' target='_blank'>Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--8]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/1c3ad0aa-ee78-4542-93b3-aa9fdf07add1.aspx' target='_blank'>Galactose (1MEOX) (5TMS) BP</a></td><td>1902.42212</td><td>4.422119</td><td>0.4884424</td><td>0.0594931729</td><td>0.75</td><td>207</td><td>0.7356502</td><td>9c570b75-fe0c-43b8-9311-7b8af17dd55b</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/dd3ea070-54a6-4ea7-b99b-a6e975fdd204.aspx' target='_blank'>dd3ea070-54a6-4ea7-b99b-a6e975fdd204</a></td><td>1c3ad0aa-ee78-4542-93b3-aa9fdf07add1</td></tr> <tr><td>3</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/0bfc9541-70d5-4d50-89c4-351a87971133.aspx' target='_blank'>Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--2]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/1c3ad0aa-ee78-4542-93b3-aa9fdf07add1.aspx' target='_blank'>Galactose (1MEOX) (5TMS) BP</a></td><td>1902.42212</td><td>4.422119</td><td>0.38635543</td><td>0.0406771079</td><td>0.8201285</td><td>383</td><td>0.7784506</td><td>0bfc9541-70d5-4d50-89c4-351a87971133</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/dd3ea070-54a6-4ea7-b99b-a6e975fdd204.aspx' target='_blank'>dd3ea070-54a6-4ea7-b99b-a6e975fdd204</a></td><td>1c3ad0aa-ee78-4542-93b3-aa9fdf07add1</td></tr> <tr><td>3</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/34a5b91e-e473-4ed6-9a40-067e0cd944f9.aspx' target='_blank'>Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-2]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/0a2b3536-2245-4c0e-bdbc-495766eeec67.aspx' target='_blank'>Glucose (1MEOX) (5TMS) BP</a></td><td>1899.05493</td><td>1.054953</td><td>0.397179246</td><td>0.06756685</td><td>0.75287354</td><td>131</td><td>0.776361</td><td>34a5b91e-e473-4ed6-9a40-067e0cd944f9</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/68513255-fc44-4041-bc4b-4fd2fae7541d.aspx' target='_blank'>68513255-fc44-4041-bc4b-4fd2fae7541d</a></td><td>0a2b3536-2245-4c0e-bdbc-495766eeec67</td></tr> <tr><td>3</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/d00de57d-6fab-49d0-9aee-25e259da9180.aspx' target='_blank'>Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/6f4e926f-d7ef-47b6-a52c-91ff88ca567a.aspx' target='_blank'>Idose (1MEOX) (5TMS) BP</a></td><td>1897.25439</td><td>0.745605469</td><td>0.432195932</td><td>0.07130679</td><td>0.629411757</td><td>107</td><td>0.6740747</td><td>d00de57d-6fab-49d0-9aee-25e259da9180</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/ab025068-f464-4bc6-9c92-994c29387db2.aspx' target='_blank'>ab025068-f464-4bc6-9c92-994c29387db2</a></td><td>6f4e926f-d7ef-47b6-a52c-91ff88ca567a</td></tr> <tr><td>3</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/0d5164ce-be48-454d-979b-ed8b92e32c1d.aspx' target='_blank'>Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-10]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/96441b61-2891-4e81-93dc-d0fc0ad175d4.aspx' target='_blank'>Glucose, U-13C- (1MEOX) (5TMS) BP</a></td><td>1901.63</td><td>3.63</td><td>0.442519277</td><td>0.050286</td><td>0.76</td><td>266</td><td>0.7361843</td><td>0d5164ce-be48-454d-979b-ed8b92e32c1d</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/441faccb-2631-4e7d-b6ca-99437265ccb8.aspx' target='_blank'>441faccb-2631-4e7d-b6ca-99437265ccb8</a></td><td>96441b61-2891-4e81-93dc-d0fc0ad175d4</td></tr> <tr><td>3</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/c1d0193b-0442-41fe-aab0-fc2438624170.aspx' target='_blank'>Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) [A189024-ambient-na-2]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/471f9ab0-1cf5-40d3-ba88-edc2458d3242.aspx' target='_blank'>Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS)</a></td><td>1897.83862</td><td>0.161383286</td><td>0.444237381</td><td>0.04988712</td><td>0.717086852</td><td>256</td><td>0.6841814</td><td>c1d0193b-0442-41fe-aab0-fc2438624170</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff.aspx' target='_blank'>151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff</a></td><td>471f9ab0-1cf5-40d3-ba88-edc2458d3242</td></tr> <tr><td>3</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/7508f46a-70b0-43eb-b5b6-0421ff41c0e8.aspx' target='_blank'>Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/163bf790-e995-46a9-8059-446172ddca0f.aspx' target='_blank'>Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP</a></td><td>1902.77417</td><td>4.77417</td><td>0.4479848</td><td>0.0491427779</td><td>0.7304582</td><td>271</td><td>0.6947696</td><td>7508f46a-70b0-43eb-b5b6-0421ff41c0e8</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/87e988c4-f26c-4e03-9a40-1b0c0b36ca67.aspx' target='_blank'>87e988c4-f26c-4e03-9a40-1b0c0b36ca67</a></td><td>163bf790-e995-46a9-8059-446172ddca0f</td></tr> <tr><td>3</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/2b364030-9fa7-4066-b685-52d7946110a6.aspx' target='_blank'>Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/da9d76f5-a2af-4fd1-89e1-c8426ad16980.aspx' target='_blank'>Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP</a></td><td>1893.44385</td><td>4.55619574</td><td>0.452163756</td><td>0.06325701</td><td>0.6106195</td><td>138</td><td>0.63247633</td><td>2b364030-9fa7-4066-b685-52d7946110a6</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/00ce759f-d1f9-492e-89f7-b7400a34c72d.aspx' target='_blank'>00ce759f-d1f9-492e-89f7-b7400a34c72d</a></td><td>da9d76f5-a2af-4fd1-89e1-c8426ad16980</td></tr> <tr><td>3</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/754097ce-c7df-40cb-bec1-ba8b0fad83f8.aspx' target='_blank'>Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--3]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/539fe164-0ea9-4509-bf37-fc9bc8073646.aspx' target='_blank'>Glucose, 2-amino-2-deoxy- (5TMS) MP</a></td><td>1899.495</td><td>1.49494946</td><td>0.474485427</td><td>0.0493914336</td><td>0.7429306</td><td>289</td><td>0.7034532</td><td>754097ce-c7df-40cb-bec1-ba8b0fad83f8</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6.aspx' target='_blank'>2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6</a></td><td>539fe164-0ea9-4509-bf37-fc9bc8073646</td></tr> <tr><td>4</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/2b364030-9fa7-4066-b685-52d7946110a6.aspx' target='_blank'>Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/da9d76f5-a2af-4fd1-89e1-c8426ad16980.aspx' target='_blank'>Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP</a></td><td>1893.44385</td><td>4.55619574</td><td>0.40254572</td><td>0.05791846</td><td>0.445833325</td><td>107</td><td>0.528728</td><td>2b364030-9fa7-4066-b685-52d7946110a6</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/00ce759f-d1f9-492e-89f7-b7400a34c72d.aspx' target='_blank'>00ce759f-d1f9-492e-89f7-b7400a34c72d</a></td><td>da9d76f5-a2af-4fd1-89e1-c8426ad16980</td></tr> <tr><td>4</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/0bfc9541-70d5-4d50-89c4-351a87971133.aspx' target='_blank'>Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--2]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/1c3ad0aa-ee78-4542-93b3-aa9fdf07add1.aspx' target='_blank'>Galactose (1MEOX) (5TMS) BP</a></td><td>1902.42212</td><td>4.422119</td><td>0.403359115</td><td>0.0413857177</td><td>0.7048832</td><td>332</td><td>0.694246054</td><td>0bfc9541-70d5-4d50-89c4-351a87971133</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/dd3ea070-54a6-4ea7-b99b-a6e975fdd204.aspx' target='_blank'>dd3ea070-54a6-4ea7-b99b-a6e975fdd204</a></td><td>1c3ad0aa-ee78-4542-93b3-aa9fdf07add1</td></tr> <tr><td>4</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/833ab58c-a8fa-4389-8b42-95e618cafb91.aspx' target='_blank'>Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-12]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/0a2b3536-2245-4c0e-bdbc-495766eeec67.aspx' target='_blank'>Glucose (1MEOX) (5TMS) BP</a></td><td>1899.05493</td><td>1.054953</td><td>0.410697162</td><td>0.06408566</td><td>0.56</td><td>112</td><td>0.6205492</td><td>833ab58c-a8fa-4389-8b42-95e618cafb91</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/68513255-fc44-4041-bc4b-4fd2fae7541d.aspx' target='_blank'>68513255-fc44-4041-bc4b-4fd2fae7541d</a></td><td>0a2b3536-2245-4c0e-bdbc-495766eeec67</td></tr> <tr><td>4</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/0d5164ce-be48-454d-979b-ed8b92e32c1d.aspx' target='_blank'>Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-10]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/96441b61-2891-4e81-93dc-d0fc0ad175d4.aspx' target='_blank'>Glucose, U-13C- (1MEOX) (5TMS) BP</a></td><td>1901.63</td><td>3.63</td><td>0.4170415</td><td>0.04813416</td><td>0.63055557</td><td>227</td><td>0.651003</td><td>0d5164ce-be48-454d-979b-ed8b92e32c1d</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/441faccb-2631-4e7d-b6ca-99437265ccb8.aspx' target='_blank'>441faccb-2631-4e7d-b6ca-99437265ccb8</a></td><td>96441b61-2891-4e81-93dc-d0fc0ad175d4</td></tr> <tr><td>4</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/c1d0193b-0442-41fe-aab0-fc2438624170.aspx' target='_blank'>Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) [A189024-ambient-na-2]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/471f9ab0-1cf5-40d3-ba88-edc2458d3242.aspx' target='_blank'>Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS)</a></td><td>1897.83862</td><td>0.161383286</td><td>0.418162525</td><td>0.0484009</td><td>0.551820755</td><td>197</td><td>0.5749244</td><td>c1d0193b-0442-41fe-aab0-fc2438624170</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff.aspx' target='_blank'>151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff</a></td><td>471f9ab0-1cf5-40d3-ba88-edc2458d3242</td></tr> <tr><td>4</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/d00de57d-6fab-49d0-9aee-25e259da9180.aspx' target='_blank'>Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/6f4e926f-d7ef-47b6-a52c-91ff88ca567a.aspx' target='_blank'>Idose (1MEOX) (5TMS) BP</a></td><td>1897.25439</td><td>0.745605469</td><td>0.4213545</td><td>0.06334745</td><td>0.609523833</td><td>128</td><td>0.6601182</td><td>d00de57d-6fab-49d0-9aee-25e259da9180</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/ab025068-f464-4bc6-9c92-994c29387db2.aspx' target='_blank'>ab025068-f464-4bc6-9c92-994c29387db2</a></td><td>6f4e926f-d7ef-47b6-a52c-91ff88ca567a</td></tr> <tr><td>4</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/85927200-53a4-492a-ad57-0a7b1d8a6e85.aspx' target='_blank'>Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/2665f816-5c52-45ed-901e-4481cf048257.aspx' target='_blank'>Erythrose-4-phosphate (1MEOX) (4TMS) MP</a></td><td>1895.98438</td><td>2.01558065</td><td>0.423168719</td><td>0.0451050438</td><td>0.617788434</td><td>257</td><td>0.6188379</td><td>85927200-53a4-492a-ad57-0a7b1d8a6e85</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/d4f07f67-d45b-43b6-bd4c-d08708d1a7ad.aspx' target='_blank'>d4f07f67-d45b-43b6-bd4c-d08708d1a7ad</a></td><td>2665f816-5c52-45ed-901e-4481cf048257</td></tr> <tr><td>4</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/7e14465a-7065-490c-9e50-e625c1c14f4d.aspx' target='_blank'>Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-5]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/163bf790-e995-46a9-8059-446172ddca0f.aspx' target='_blank'>Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP</a></td><td>1902.77417</td><td>4.77417</td><td>0.445822567</td><td>0.0513614975</td><td>0.5473373</td><td>185</td><td>0.578929663</td><td>7e14465a-7065-490c-9e50-e625c1c14f4d</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/87e988c4-f26c-4e03-9a40-1b0c0b36ca67.aspx' target='_blank'>87e988c4-f26c-4e03-9a40-1b0c0b36ca67</a></td><td>163bf790-e995-46a9-8059-446172ddca0f</td></tr> <tr><td>5</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/8d439b60-424f-46f7-b996-c0c2114f797e.aspx' target='_blank'>Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-20]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/0a2b3536-2245-4c0e-bdbc-495766eeec67.aspx' target='_blank'>Glucose (1MEOX) (5TMS) BP</a></td><td>1899.05493</td><td>1.054953</td><td>0.354763538</td><td>0.06923945</td><td>0.6554054</td><td>97</td><td>0.6981253</td><td>8d439b60-424f-46f7-b996-c0c2114f797e</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/68513255-fc44-4041-bc4b-4fd2fae7541d.aspx' target='_blank'>68513255-fc44-4041-bc4b-4fd2fae7541d</a></td><td>0a2b3536-2245-4c0e-bdbc-495766eeec67</td></tr> <tr><td>5</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/8bf796f1-f7cf-4df5-afbc-979b0d95a383.aspx' target='_blank'>Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/da9d76f5-a2af-4fd1-89e1-c8426ad16980.aspx' target='_blank'>Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP</a></td><td>1893.44385</td><td>4.55619574</td><td>0.402286351</td><td>0.0382821634</td><td>0.8251366</td><td>453</td><td>0.7650924</td><td>8bf796f1-f7cf-4df5-afbc-979b0d95a383</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/00ce759f-d1f9-492e-89f7-b7400a34c72d.aspx' target='_blank'>00ce759f-d1f9-492e-89f7-b7400a34c72d</a></td><td>da9d76f5-a2af-4fd1-89e1-c8426ad16980</td></tr> <tr><td>5</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/1f3b3037-bb9d-45fa-9a9c-70cc299da470.aspx' target='_blank'>Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--17]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/1c3ad0aa-ee78-4542-93b3-aa9fdf07add1.aspx' target='_blank'>Galactose (1MEOX) (5TMS) BP</a></td><td>1902.42212</td><td>4.422119</td><td>0.411938727</td><td>0.0459032</td><td>0.7672634</td><td>300</td><td>0.728630841</td><td>1f3b3037-bb9d-45fa-9a9c-70cc299da470</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/dd3ea070-54a6-4ea7-b99b-a6e975fdd204.aspx' target='_blank'>dd3ea070-54a6-4ea7-b99b-a6e975fdd204</a></td><td>1c3ad0aa-ee78-4542-93b3-aa9fdf07add1</td></tr> <tr><td>5</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/6c360eba-d726-44d9-a666-d0695d8448cf.aspx' target='_blank'>Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-7]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/96441b61-2891-4e81-93dc-d0fc0ad175d4.aspx' target='_blank'>Glucose, U-13C- (1MEOX) (5TMS) BP</a></td><td>1901.63</td><td>3.63</td><td>0.411938757</td><td>0.0815118</td><td>0.661290348</td><td>82</td><td>0.696781337</td><td>6c360eba-d726-44d9-a666-d0695d8448cf</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/441faccb-2631-4e7d-b6ca-99437265ccb8.aspx' target='_blank'>441faccb-2631-4e7d-b6ca-99437265ccb8</a></td><td>96441b61-2891-4e81-93dc-d0fc0ad175d4</td></tr> <tr><td>5</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/d00de57d-6fab-49d0-9aee-25e259da9180.aspx' target='_blank'>Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/6f4e926f-d7ef-47b6-a52c-91ff88ca567a.aspx' target='_blank'>Idose (1MEOX) (5TMS) BP</a></td><td>1897.25439</td><td>0.745605469</td><td>0.424958557</td><td>0.0713395</td><td>0.6227545</td><td>104</td><td>0.6678984</td><td>d00de57d-6fab-49d0-9aee-25e259da9180</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/ab025068-f464-4bc6-9c92-994c29387db2.aspx' target='_blank'>ab025068-f464-4bc6-9c92-994c29387db2</a></td><td>6f4e926f-d7ef-47b6-a52c-91ff88ca567a</td></tr> <tr><td>5</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/c1d0193b-0442-41fe-aab0-fc2438624170.aspx' target='_blank'>Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) [A189024-ambient-na-2]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/471f9ab0-1cf5-40d3-ba88-edc2458d3242.aspx' target='_blank'>Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS)</a></td><td>1897.83862</td><td>0.161383286</td><td>0.484940231</td><td>0.0521224737</td><td>0.7254902</td><td>259</td><td>0.6899733</td><td>c1d0193b-0442-41fe-aab0-fc2438624170</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff.aspx' target='_blank'>151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff</a></td><td>471f9ab0-1cf5-40d3-ba88-edc2458d3242</td></tr> <tr><td>5</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/85927200-53a4-492a-ad57-0a7b1d8a6e85.aspx' target='_blank'>Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/2665f816-5c52-45ed-901e-4481cf048257.aspx' target='_blank'>Erythrose-4-phosphate (1MEOX) (4TMS) MP</a></td><td>1895.98438</td><td>2.01558065</td><td>0.488564819</td><td>0.0484651364</td><td>0.7668269</td><td>319</td><td>0.720424533</td><td>85927200-53a4-492a-ad57-0a7b1d8a6e85</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/d4f07f67-d45b-43b6-bd4c-d08708d1a7ad.aspx' target='_blank'>d4f07f67-d45b-43b6-bd4c-d08708d1a7ad</a></td><td>2665f816-5c52-45ed-901e-4481cf048257</td></tr> <tr><td>6</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/8d439b60-424f-46f7-b996-c0c2114f797e.aspx' target='_blank'>Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-20]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/0a2b3536-2245-4c0e-bdbc-495766eeec67.aspx' target='_blank'>Glucose (1MEOX) (5TMS) BP</a></td><td>1899.05493</td><td>1.054953</td><td>0.315586</td><td>0.05261462</td><td>0.578947365</td><td>132</td><td>0.6002723</td><td>8d439b60-424f-46f7-b996-c0c2114f797e</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/68513255-fc44-4041-bc4b-4fd2fae7541d.aspx' target='_blank'>68513255-fc44-4041-bc4b-4fd2fae7541d</a></td><td>0a2b3536-2245-4c0e-bdbc-495766eeec67</td></tr> <tr><td>6</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/c3592e5c-0d20-406b-ac62-32bd60255caf.aspx' target='_blank'>Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/1c3ad0aa-ee78-4542-93b3-aa9fdf07add1.aspx' target='_blank'>Galactose (1MEOX) (5TMS) BP</a></td><td>1902.42212</td><td>4.422119</td><td>0.31916222</td><td>0.0516799167</td><td>0.556485355</td><td>133</td><td>0.5977888</td><td>c3592e5c-0d20-406b-ac62-32bd60255caf</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/dd3ea070-54a6-4ea7-b99b-a6e975fdd204.aspx' target='_blank'>dd3ea070-54a6-4ea7-b99b-a6e975fdd204</a></td><td>1c3ad0aa-ee78-4542-93b3-aa9fdf07add1</td></tr> <tr><td>6</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/d00de57d-6fab-49d0-9aee-25e259da9180.aspx' target='_blank'>Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/6f4e926f-d7ef-47b6-a52c-91ff88ca567a.aspx' target='_blank'>Idose (1MEOX) (5TMS) BP</a></td><td>1897.25439</td><td>0.745605469</td><td>0.356775373</td><td>0.05557845</td><td>0.46320346</td><td>107</td><td>0.5265545</td><td>d00de57d-6fab-49d0-9aee-25e259da9180</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/ab025068-f464-4bc6-9c92-994c29387db2.aspx' target='_blank'>ab025068-f464-4bc6-9c92-994c29387db2</a></td><td>6f4e926f-d7ef-47b6-a52c-91ff88ca567a</td></tr> <tr><td>6</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/8bf796f1-f7cf-4df5-afbc-979b0d95a383.aspx' target='_blank'>Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/da9d76f5-a2af-4fd1-89e1-c8426ad16980.aspx' target='_blank'>Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP</a></td><td>1893.44385</td><td>4.55619574</td><td>0.375095934</td><td>0.03693217</td><td>0.6</td><td>330</td><td>0.608352542</td><td>8bf796f1-f7cf-4df5-afbc-979b0d95a383</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/00ce759f-d1f9-492e-89f7-b7400a34c72d.aspx' target='_blank'>00ce759f-d1f9-492e-89f7-b7400a34c72d</a></td><td>da9d76f5-a2af-4fd1-89e1-c8426ad16980</td></tr> <tr><td>6</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/11e07008-ff9d-4d76-9b09-590beaa90f22.aspx' target='_blank'>Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--8]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/539fe164-0ea9-4509-bf37-fc9bc8073646.aspx' target='_blank'>Glucose, 2-amino-2-deoxy- (5TMS) MP</a></td><td>1899.495</td><td>1.49494946</td><td>0.386559725</td><td>0.05199245</td><td>0.2972028</td><td>85</td><td>0.414242685</td><td>11e07008-ff9d-4d76-9b09-590beaa90f22</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6.aspx' target='_blank'>2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6</a></td><td>539fe164-0ea9-4509-bf37-fc9bc8073646</td></tr> <tr><td>6</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/ef78eeb1-ec7f-453d-90bd-cd1bf3b04153.aspx' target='_blank'>Galactose_3_5TMS [A190022-ambient-na-1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/17441428-6e9c-4caf-84d5-561b494df795.aspx' target='_blank'>Galactose_3_5TMS</a></td><td>1896.3114</td><td>1.68858171</td><td>0.389454484</td><td>0.0513845235</td><td>0.386440665</td><td>114</td><td>0.4878328</td><td>ef78eeb1-ec7f-453d-90bd-cd1bf3b04153</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/f01236e3-4d1e-493a-bd99-3aca2801f86e.aspx' target='_blank'>f01236e3-4d1e-493a-bd99-3aca2801f86e</a></td><td>17441428-6e9c-4caf-84d5-561b494df795</td></tr> <tr><td>6</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/27d4dcdd-d351-4976-8ef9-76a0cc53f631.aspx' target='_blank'>Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/96441b61-2891-4e81-93dc-d0fc0ad175d4.aspx' target='_blank'>Glucose, U-13C- (1MEOX) (5TMS) BP</a></td><td>1901.63</td><td>3.63</td><td>0.453840375</td><td>0.06162652</td><td>0.5690377</td><td>136</td><td>0.606397</td><td>27d4dcdd-d351-4976-8ef9-76a0cc53f631</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/441faccb-2631-4e7d-b6ca-99437265ccb8.aspx' target='_blank'>441faccb-2631-4e7d-b6ca-99437265ccb8</a></td><td>96441b61-2891-4e81-93dc-d0fc0ad175d4</td></tr> <tr><td>6</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/85927200-53a4-492a-ad57-0a7b1d8a6e85.aspx' target='_blank'>Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/2665f816-5c52-45ed-901e-4481cf048257.aspx' target='_blank'>Erythrose-4-phosphate (1MEOX) (4TMS) MP</a></td><td>1895.98438</td><td>2.01558065</td><td>0.468880624</td><td>0.04719599</td><td>0.484560579</td><td>204</td><td>0.5354268</td><td>85927200-53a4-492a-ad57-0a7b1d8a6e85</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/d4f07f67-d45b-43b6-bd4c-d08708d1a7ad.aspx' target='_blank'>d4f07f67-d45b-43b6-bd4c-d08708d1a7ad</a></td><td>2665f816-5c52-45ed-901e-4481cf048257</td></tr> <tr><td>7</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/0bfc9541-70d5-4d50-89c4-351a87971133.aspx' target='_blank'>Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--2]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/1c3ad0aa-ee78-4542-93b3-aa9fdf07add1.aspx' target='_blank'>Galactose (1MEOX) (5TMS) BP</a></td><td>1902.42212</td><td>4.422119</td><td>0.311034173</td><td>0.0363806225</td><td>0.568085134</td><td>267</td><td>0.5993147</td><td>0bfc9541-70d5-4d50-89c4-351a87971133</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/dd3ea070-54a6-4ea7-b99b-a6e975fdd204.aspx' target='_blank'>dd3ea070-54a6-4ea7-b99b-a6e975fdd204</a></td><td>1c3ad0aa-ee78-4542-93b3-aa9fdf07add1</td></tr> <tr><td>7</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/28f50103-c931-4a74-b5d2-1a77ac420ea5.aspx' target='_blank'>Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-26]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/0a2b3536-2245-4c0e-bdbc-495766eeec67.aspx' target='_blank'>Glucose (1MEOX) (5TMS) BP</a></td><td>1899.05493</td><td>1.054953</td><td>0.3122851</td><td>0.0344914123</td><td>0.586666644</td><td>308</td><td>0.6017828</td><td>28f50103-c931-4a74-b5d2-1a77ac420ea5</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/68513255-fc44-4041-bc4b-4fd2fae7541d.aspx' target='_blank'>68513255-fc44-4041-bc4b-4fd2fae7541d</a></td><td>0a2b3536-2245-4c0e-bdbc-495766eeec67</td></tr> <tr><td>7</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/d00de57d-6fab-49d0-9aee-25e259da9180.aspx' target='_blank'>Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/6f4e926f-d7ef-47b6-a52c-91ff88ca567a.aspx' target='_blank'>Idose (1MEOX) (5TMS) BP</a></td><td>1897.25439</td><td>0.745605469</td><td>0.3334442</td><td>0.051751975</td><td>0.5742972</td><td>143</td><td>0.6182019</td><td>d00de57d-6fab-49d0-9aee-25e259da9180</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/ab025068-f464-4bc6-9c92-994c29387db2.aspx' target='_blank'>ab025068-f464-4bc6-9c92-994c29387db2</a></td><td>6f4e926f-d7ef-47b6-a52c-91ff88ca567a</td></tr> <tr><td>7</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/8bf796f1-f7cf-4df5-afbc-979b0d95a383.aspx' target='_blank'>Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/da9d76f5-a2af-4fd1-89e1-c8426ad16980.aspx' target='_blank'>Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP</a></td><td>1893.44385</td><td>4.55619574</td><td>0.3596541</td><td>0.0359038</td><td>0.6200717</td><td>346</td><td>0.6268959</td><td>8bf796f1-f7cf-4df5-afbc-979b0d95a383</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/00ce759f-d1f9-492e-89f7-b7400a34c72d.aspx' target='_blank'>00ce759f-d1f9-492e-89f7-b7400a34c72d</a></td><td>da9d76f5-a2af-4fd1-89e1-c8426ad16980</td></tr> <tr><td>7</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/11e07008-ff9d-4d76-9b09-590beaa90f22.aspx' target='_blank'>Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--8]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/539fe164-0ea9-4509-bf37-fc9bc8073646.aspx' target='_blank'>Glucose, 2-amino-2-deoxy- (5TMS) MP</a></td><td>1899.495</td><td>1.49494946</td><td>0.376751959</td><td>0.04970417</td><td>0.403278679</td><td>123</td><td>0.499903738</td><td>11e07008-ff9d-4d76-9b09-590beaa90f22</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6.aspx' target='_blank'>2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6</a></td><td>539fe164-0ea9-4509-bf37-fc9bc8073646</td></tr> <tr><td>7</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/ef78eeb1-ec7f-453d-90bd-cd1bf3b04153.aspx' target='_blank'>Galactose_3_5TMS [A190022-ambient-na-1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/17441428-6e9c-4caf-84d5-561b494df795.aspx' target='_blank'>Galactose_3_5TMS</a></td><td>1896.3114</td><td>1.68858171</td><td>0.405417144</td><td>0.0507353619</td><td>0.4888889</td><td>154</td><td>0.5676107</td><td>ef78eeb1-ec7f-453d-90bd-cd1bf3b04153</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/f01236e3-4d1e-493a-bd99-3aca2801f86e.aspx' target='_blank'>f01236e3-4d1e-493a-bd99-3aca2801f86e</a></td><td>17441428-6e9c-4caf-84d5-561b494df795</td></tr> <tr><td>7</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/27d4dcdd-d351-4976-8ef9-76a0cc53f631.aspx' target='_blank'>Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/96441b61-2891-4e81-93dc-d0fc0ad175d4.aspx' target='_blank'>Glucose, U-13C- (1MEOX) (5TMS) BP</a></td><td>1901.63</td><td>3.63</td><td>0.4187165</td><td>0.0568623953</td><td>0.6795367</td><td>176</td><td>0.700350344</td><td>27d4dcdd-d351-4976-8ef9-76a0cc53f631</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/441faccb-2631-4e7d-b6ca-99437265ccb8.aspx' target='_blank'>441faccb-2631-4e7d-b6ca-99437265ccb8</a></td><td>96441b61-2891-4e81-93dc-d0fc0ad175d4</td></tr> <tr><td>7</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/85927200-53a4-492a-ad57-0a7b1d8a6e85.aspx' target='_blank'>Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/2665f816-5c52-45ed-901e-4481cf048257.aspx' target='_blank'>Erythrose-4-phosphate (1MEOX) (4TMS) MP</a></td><td>1895.98438</td><td>2.01558065</td><td>0.432310849</td><td>0.0449986123</td><td>0.5058548</td><td>216</td><td>0.553538561</td><td>85927200-53a4-492a-ad57-0a7b1d8a6e85</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/d4f07f67-d45b-43b6-bd4c-d08708d1a7ad.aspx' target='_blank'>d4f07f67-d45b-43b6-bd4c-d08708d1a7ad</a></td><td>2665f816-5c52-45ed-901e-4481cf048257</td></tr> <tr><td>8</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>9</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/62f9b835-3d55-4a27-81a1-0dab814aceb0.aspx' target='_blank'>Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-4]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/0a2b3536-2245-4c0e-bdbc-495766eeec67.aspx' target='_blank'>Glucose (1MEOX) (5TMS) BP</a></td><td>1899.05493</td><td>1.054953</td><td>0.128620371</td><td>0.06717883</td><td>0.8596491</td><td>49</td><td>0.802279055</td><td>62f9b835-3d55-4a27-81a1-0dab814aceb0</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/68513255-fc44-4041-bc4b-4fd2fae7541d.aspx' target='_blank'>68513255-fc44-4041-bc4b-4fd2fae7541d</a></td><td>0a2b3536-2245-4c0e-bdbc-495766eeec67</td></tr> <tr><td>9</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/5cf7c784-d01f-4163-ac19-ef2429eb410b.aspx' target='_blank'>Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--11]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/1c3ad0aa-ee78-4542-93b3-aa9fdf07add1.aspx' target='_blank'>Galactose (1MEOX) (5TMS) BP</a></td><td>1902.42212</td><td>4.422119</td><td>0.203193992</td><td>0.08926585</td><td>0.843137264</td><td>43</td><td>0.789225161</td><td>5cf7c784-d01f-4163-ac19-ef2429eb410b</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/dd3ea070-54a6-4ea7-b99b-a6e975fdd204.aspx' target='_blank'>dd3ea070-54a6-4ea7-b99b-a6e975fdd204</a></td><td>1c3ad0aa-ee78-4542-93b3-aa9fdf07add1</td></tr> <tr><td>10</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/62f9b835-3d55-4a27-81a1-0dab814aceb0.aspx' target='_blank'>Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-4]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/0a2b3536-2245-4c0e-bdbc-495766eeec67.aspx' target='_blank'>Glucose (1MEOX) (5TMS) BP</a></td><td>1899.05493</td><td>1.054953</td><td>0.145974338</td><td>0.072203666</td><td>0.839285731</td><td>47</td><td>0.774020731</td><td>62f9b835-3d55-4a27-81a1-0dab814aceb0</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/68513255-fc44-4041-bc4b-4fd2fae7541d.aspx' target='_blank'>68513255-fc44-4041-bc4b-4fd2fae7541d</a></td><td>0a2b3536-2245-4c0e-bdbc-495766eeec67</td></tr> <tr><td>10</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/5cf7c784-d01f-4163-ac19-ef2429eb410b.aspx' target='_blank'>Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--11]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/1c3ad0aa-ee78-4542-93b3-aa9fdf07add1.aspx' target='_blank'>Galactose (1MEOX) (5TMS) BP</a></td><td>1902.42212</td><td>4.422119</td><td>0.231892109</td><td>0.09631036</td><td>0.82</td><td>41</td><td>0.7587727</td><td>5cf7c784-d01f-4163-ac19-ef2429eb410b</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/dd3ea070-54a6-4ea7-b99b-a6e975fdd204.aspx' target='_blank'>dd3ea070-54a6-4ea7-b99b-a6e975fdd204</a></td><td>1c3ad0aa-ee78-4542-93b3-aa9fdf07add1</td></tr> <tr><td>11</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>13</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/8d439b60-424f-46f7-b996-c0c2114f797e.aspx' target='_blank'>Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-20]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/0a2b3536-2245-4c0e-bdbc-495766eeec67.aspx' target='_blank'>Glucose (1MEOX) (5TMS) BP</a></td><td>1899.05493</td><td>1.054953</td><td>0.169009715</td><td>0.0388460457</td><td>0.5535714</td><td>124</td><td>0.577645063</td><td>8d439b60-424f-46f7-b996-c0c2114f797e</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/68513255-fc44-4041-bc4b-4fd2fae7541d.aspx' target='_blank'>68513255-fc44-4041-bc4b-4fd2fae7541d</a></td><td>0a2b3536-2245-4c0e-bdbc-495766eeec67</td></tr> <tr><td>13</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/1f3b3037-bb9d-45fa-9a9c-70cc299da470.aspx' target='_blank'>Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--17]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/1c3ad0aa-ee78-4542-93b3-aa9fdf07add1.aspx' target='_blank'>Galactose (1MEOX) (5TMS) BP</a></td><td>1902.42212</td><td>4.422119</td><td>0.173254281</td><td>0.0297313016</td><td>0.4515306</td><td>177</td><td>0.5150558</td><td>1f3b3037-bb9d-45fa-9a9c-70cc299da470</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/dd3ea070-54a6-4ea7-b99b-a6e975fdd204.aspx' target='_blank'>dd3ea070-54a6-4ea7-b99b-a6e975fdd204</a></td><td>1c3ad0aa-ee78-4542-93b3-aa9fdf07add1</td></tr> <tr><td>13</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/d00de57d-6fab-49d0-9aee-25e259da9180.aspx' target='_blank'>Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/6f4e926f-d7ef-47b6-a52c-91ff88ca567a.aspx' target='_blank'>Idose (1MEOX) (5TMS) BP</a></td><td>1897.25439</td><td>0.745605469</td><td>0.198374733</td><td>0.04144309</td><td>0.46320346</td><td>107</td><td>0.5265545</td><td>d00de57d-6fab-49d0-9aee-25e259da9180</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/ab025068-f464-4bc6-9c92-994c29387db2.aspx' target='_blank'>ab025068-f464-4bc6-9c92-994c29387db2</a></td><td>6f4e926f-d7ef-47b6-a52c-91ff88ca567a</td></tr> <tr><td>13</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/8bf796f1-f7cf-4df5-afbc-979b0d95a383.aspx' target='_blank'>Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/da9d76f5-a2af-4fd1-89e1-c8426ad16980.aspx' target='_blank'>Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP</a></td><td>1893.44385</td><td>4.55619574</td><td>0.2139774</td><td>0.0279198289</td><td>0.5974499</td><td>328</td><td>0.6059947</td><td>8bf796f1-f7cf-4df5-afbc-979b0d95a383</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/00ce759f-d1f9-492e-89f7-b7400a34c72d.aspx' target='_blank'>00ce759f-d1f9-492e-89f7-b7400a34c72d</a></td><td>da9d76f5-a2af-4fd1-89e1-c8426ad16980</td></tr> <tr><td>13</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/754097ce-c7df-40cb-bec1-ba8b0fad83f8.aspx' target='_blank'>Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--3]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/539fe164-0ea9-4509-bf37-fc9bc8073646.aspx' target='_blank'>Glucose, 2-amino-2-deoxy- (5TMS) MP</a></td><td>1899.495</td><td>1.49494946</td><td>0.295577049</td><td>0.03858825</td><td>0.46095717</td><td>183</td><td>0.5219953</td><td>754097ce-c7df-40cb-bec1-ba8b0fad83f8</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6.aspx' target='_blank'>2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6</a></td><td>539fe164-0ea9-4509-bf37-fc9bc8073646</td></tr> <tr><td>13</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/27d4dcdd-d351-4976-8ef9-76a0cc53f631.aspx' target='_blank'>Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/96441b61-2891-4e81-93dc-d0fc0ad175d4.aspx' target='_blank'>Glucose, U-13C- (1MEOX) (5TMS) BP</a></td><td>1901.63</td><td>3.63</td><td>0.298371822</td><td>0.04895468</td><td>0.626506031</td><td>156</td><td>0.6550603</td><td>27d4dcdd-d351-4976-8ef9-76a0cc53f631</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/441faccb-2631-4e7d-b6ca-99437265ccb8.aspx' target='_blank'>441faccb-2631-4e7d-b6ca-99437265ccb8</a></td><td>96441b61-2891-4e81-93dc-d0fc0ad175d4</td></tr> <tr><td>13</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/ef78eeb1-ec7f-453d-90bd-cd1bf3b04153.aspx' target='_blank'>Galactose_3_5TMS [A190022-ambient-na-1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/17441428-6e9c-4caf-84d5-561b494df795.aspx' target='_blank'>Galactose_3_5TMS</a></td><td>1896.3114</td><td>1.68858171</td><td>0.3004605</td><td>0.045287136</td><td>0.37542662</td><td>110</td><td>0.479125</td><td>ef78eeb1-ec7f-453d-90bd-cd1bf3b04153</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/f01236e3-4d1e-493a-bd99-3aca2801f86e.aspx' target='_blank'>f01236e3-4d1e-493a-bd99-3aca2801f86e</a></td><td>17441428-6e9c-4caf-84d5-561b494df795</td></tr> <tr><td>13</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/85927200-53a4-492a-ad57-0a7b1d8a6e85.aspx' target='_blank'>Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/2665f816-5c52-45ed-901e-4481cf048257.aspx' target='_blank'>Erythrose-4-phosphate (1MEOX) (4TMS) MP</a></td><td>1895.98438</td><td>2.01558065</td><td>0.303167731</td><td>0.03795032</td><td>0.484560579</td><td>204</td><td>0.5354268</td><td>85927200-53a4-492a-ad57-0a7b1d8a6e85</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/d4f07f67-d45b-43b6-bd4c-d08708d1a7ad.aspx' target='_blank'>d4f07f67-d45b-43b6-bd4c-d08708d1a7ad</a></td><td>2665f816-5c52-45ed-901e-4481cf048257</td></tr> <tr><td>14</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>15</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>16</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>17</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>18</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/817f2a03-9df5-46e3-973c-b2a9675109cf.aspx' target='_blank'>Allantoin (5TMS) [A188009-ambient-na-5]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/65bb54d2-6bf7-4a53-aa22-8abf71240005.aspx' target='_blank'>Allantoin (5TMS)</a></td><td>1896.99829</td><td>1.001709</td><td>0.209903836</td><td>0.0601583831</td><td>0.8103448</td><td>94</td><td>0.783262</td><td>817f2a03-9df5-46e3-973c-b2a9675109cf</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/a999f0d6-0285-41d9-a6ba-b705987b663c.aspx' target='_blank'>a999f0d6-0285-41d9-a6ba-b705987b663c</a></td><td>65bb54d2-6bf7-4a53-aa22-8abf71240005</td></tr> <tr><td>18</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/2b364030-9fa7-4066-b685-52d7946110a6.aspx' target='_blank'>Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/da9d76f5-a2af-4fd1-89e1-c8426ad16980.aspx' target='_blank'>Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP</a></td><td>1893.44385</td><td>4.55619574</td><td>0.240307823</td><td>0.0475017</td><td>0.85915494</td><td>183</td><td>0.7903839</td><td>2b364030-9fa7-4066-b685-52d7946110a6</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/00ce759f-d1f9-492e-89f7-b7400a34c72d.aspx' target='_blank'>00ce759f-d1f9-492e-89f7-b7400a34c72d</a></td><td>da9d76f5-a2af-4fd1-89e1-c8426ad16980</td></tr> <tr><td>18</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/6e056b61-4da9-46e3-970b-680a22e4afd0.aspx' target='_blank'>Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--6]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/1c3ad0aa-ee78-4542-93b3-aa9fdf07add1.aspx' target='_blank'>Galactose (1MEOX) (5TMS) BP</a></td><td>1902.42212</td><td>4.422119</td><td>0.266967148</td><td>0.0622020029</td><td>0.847826064</td><td>117</td><td>0.813898</td><td>6e056b61-4da9-46e3-970b-680a22e4afd0</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/dd3ea070-54a6-4ea7-b99b-a6e975fdd204.aspx' target='_blank'>dd3ea070-54a6-4ea7-b99b-a6e975fdd204</a></td><td>1c3ad0aa-ee78-4542-93b3-aa9fdf07add1</td></tr> <tr><td>18</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/833ab58c-a8fa-4389-8b42-95e618cafb91.aspx' target='_blank'>Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-12]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/0a2b3536-2245-4c0e-bdbc-495766eeec67.aspx' target='_blank'>Glucose (1MEOX) (5TMS) BP</a></td><td>1899.05493</td><td>1.054953</td><td>0.268232971</td><td>0.0625764355</td><td>0.846715331</td><td>116</td><td>0.813089132</td><td>833ab58c-a8fa-4389-8b42-95e618cafb91</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/68513255-fc44-4041-bc4b-4fd2fae7541d.aspx' target='_blank'>68513255-fc44-4041-bc4b-4fd2fae7541d</a></td><td>0a2b3536-2245-4c0e-bdbc-495766eeec67</td></tr> <tr><td>18</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/27d4dcdd-d351-4976-8ef9-76a0cc53f631.aspx' target='_blank'>Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/96441b61-2891-4e81-93dc-d0fc0ad175d4.aspx' target='_blank'>Glucose, U-13C- (1MEOX) (5TMS) BP</a></td><td>1901.63</td><td>3.63</td><td>0.280021936</td><td>0.06640628</td><td>0.8267717</td><td>105</td><td>0.794855952</td><td>27d4dcdd-d351-4976-8ef9-76a0cc53f631</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/441faccb-2631-4e7d-b6ca-99437265ccb8.aspx' target='_blank'>441faccb-2631-4e7d-b6ca-99437265ccb8</a></td><td>96441b61-2891-4e81-93dc-d0fc0ad175d4</td></tr> <tr><td>18</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/d00de57d-6fab-49d0-9aee-25e259da9180.aspx' target='_blank'>Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/6f4e926f-d7ef-47b6-a52c-91ff88ca567a.aspx' target='_blank'>Idose (1MEOX) (5TMS) BP</a></td><td>1897.25439</td><td>0.745605469</td><td>0.289705932</td><td>0.063654</td><td>0.867132843</td><td>124</td><td>0.835505962</td><td>d00de57d-6fab-49d0-9aee-25e259da9180</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/ab025068-f464-4bc6-9c92-994c29387db2.aspx' target='_blank'>ab025068-f464-4bc6-9c92-994c29387db2</a></td><td>6f4e926f-d7ef-47b6-a52c-91ff88ca567a</td></tr> <tr><td>18</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/6754fc3e-ad28-4576-b723-60aa4fa0790b.aspx' target='_blank'>Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-3]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/163bf790-e995-46a9-8059-446172ddca0f.aspx' target='_blank'>Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP</a></td><td>1902.77417</td><td>4.77417</td><td>0.452285469</td><td>0.08009617</td><td>0.8865248</td><td>125</td><td>0.8606896</td><td>6754fc3e-ad28-4576-b723-60aa4fa0790b</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/87e988c4-f26c-4e03-9a40-1b0c0b36ca67.aspx' target='_blank'>87e988c4-f26c-4e03-9a40-1b0c0b36ca67</a></td><td>163bf790-e995-46a9-8059-446172ddca0f</td></tr> <tr><td>18</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/4c89b294-311e-4e11-8af3-8e80b969109f.aspx' target='_blank'>Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--2]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/539fe164-0ea9-4509-bf37-fc9bc8073646.aspx' target='_blank'>Glucose, 2-amino-2-deoxy- (5TMS) MP</a></td><td>1899.495</td><td>1.49494946</td><td>0.4736493</td><td>0.0596764</td><td>0.8947368</td><td>238</td><td>0.8278728</td><td>4c89b294-311e-4e11-8af3-8e80b969109f</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6.aspx' target='_blank'>2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6</a></td><td>539fe164-0ea9-4509-bf37-fc9bc8073646</td></tr> <tr><td>19</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/28f50103-c931-4a74-b5d2-1a77ac420ea5.aspx' target='_blank'>Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-26]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/0a2b3536-2245-4c0e-bdbc-495766eeec67.aspx' target='_blank'>Glucose (1MEOX) (5TMS) BP</a></td><td>1899.05493</td><td>1.054953</td><td>0.189724684</td><td>0.0268077236</td><td>0.6041667</td><td>319</td><td>0.6153477</td><td>28f50103-c931-4a74-b5d2-1a77ac420ea5</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/68513255-fc44-4041-bc4b-4fd2fae7541d.aspx' target='_blank'>68513255-fc44-4041-bc4b-4fd2fae7541d</a></td><td>0a2b3536-2245-4c0e-bdbc-495766eeec67</td></tr> <tr><td>19</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/1f3b3037-bb9d-45fa-9a9c-70cc299da470.aspx' target='_blank'>Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--17]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/1c3ad0aa-ee78-4542-93b3-aa9fdf07add1.aspx' target='_blank'>Galactose (1MEOX) (5TMS) BP</a></td><td>1902.42212</td><td>4.422119</td><td>0.195334315</td><td>0.031528838</td><td>0.468193382</td><td>184</td><td>0.5269175</td><td>1f3b3037-bb9d-45fa-9a9c-70cc299da470</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/dd3ea070-54a6-4ea7-b99b-a6e975fdd204.aspx' target='_blank'>dd3ea070-54a6-4ea7-b99b-a6e975fdd204</a></td><td>1c3ad0aa-ee78-4542-93b3-aa9fdf07add1</td></tr> <tr><td>19</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/d00de57d-6fab-49d0-9aee-25e259da9180.aspx' target='_blank'>Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/6f4e926f-d7ef-47b6-a52c-91ff88ca567a.aspx' target='_blank'>Idose (1MEOX) (5TMS) BP</a></td><td>1897.25439</td><td>0.745605469</td><td>0.205342725</td><td>0.0421646647</td><td>0.4848485</td><td>112</td><td>0.546345532</td><td>d00de57d-6fab-49d0-9aee-25e259da9180</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/ab025068-f464-4bc6-9c92-994c29387db2.aspx' target='_blank'>ab025068-f464-4bc6-9c92-994c29387db2</a></td><td>6f4e926f-d7ef-47b6-a52c-91ff88ca567a</td></tr> <tr><td>19</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/8bf796f1-f7cf-4df5-afbc-979b0d95a383.aspx' target='_blank'>Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/da9d76f5-a2af-4fd1-89e1-c8426ad16980.aspx' target='_blank'>Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP</a></td><td>1893.44385</td><td>4.55619574</td><td>0.221429184</td><td>0.02832454</td><td>0.614130437</td><td>339</td><td>0.61901623</td><td>8bf796f1-f7cf-4df5-afbc-979b0d95a383</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/00ce759f-d1f9-492e-89f7-b7400a34c72d.aspx' target='_blank'>00ce759f-d1f9-492e-89f7-b7400a34c72d</a></td><td>da9d76f5-a2af-4fd1-89e1-c8426ad16980</td></tr> <tr><td>19</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/27d4dcdd-d351-4976-8ef9-76a0cc53f631.aspx' target='_blank'>Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/96441b61-2891-4e81-93dc-d0fc0ad175d4.aspx' target='_blank'>Glucose, U-13C- (1MEOX) (5TMS) BP</a></td><td>1901.63</td><td>3.63</td><td>0.293066233</td><td>0.04851748</td><td>0.646586359</td><td>161</td><td>0.6735261</td><td>27d4dcdd-d351-4976-8ef9-76a0cc53f631</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/441faccb-2631-4e7d-b6ca-99437265ccb8.aspx' target='_blank'>441faccb-2631-4e7d-b6ca-99437265ccb8</a></td><td>96441b61-2891-4e81-93dc-d0fc0ad175d4</td></tr> <tr><td>19</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/754097ce-c7df-40cb-bec1-ba8b0fad83f8.aspx' target='_blank'>Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--3]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/539fe164-0ea9-4509-bf37-fc9bc8073646.aspx' target='_blank'>Glucose, 2-amino-2-deoxy- (5TMS) MP</a></td><td>1899.495</td><td>1.49494946</td><td>0.294312984</td><td>0.0385056473</td><td>0.473551631</td><td>188</td><td>0.530448139</td><td>754097ce-c7df-40cb-bec1-ba8b0fad83f8</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6.aspx' target='_blank'>2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6</a></td><td>539fe164-0ea9-4509-bf37-fc9bc8073646</td></tr> <tr><td>19</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/85927200-53a4-492a-ad57-0a7b1d8a6e85.aspx' target='_blank'>Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/2665f816-5c52-45ed-901e-4481cf048257.aspx' target='_blank'>Erythrose-4-phosphate (1MEOX) (4TMS) MP</a></td><td>1895.98438</td><td>2.01558065</td><td>0.2977491</td><td>0.03747635</td><td>0.5070755</td><td>215</td><td>0.5523996</td><td>85927200-53a4-492a-ad57-0a7b1d8a6e85</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/d4f07f67-d45b-43b6-bd4c-d08708d1a7ad.aspx' target='_blank'>d4f07f67-d45b-43b6-bd4c-d08708d1a7ad</a></td><td>2665f816-5c52-45ed-901e-4481cf048257</td></tr> <tr><td>19</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/063fa226-ed62-4d9f-9d5c-ee52c0974e55.aspx' target='_blank'>Allantoin (5TMS) [A188009-ambient-na-6]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/65bb54d2-6bf7-4a53-aa22-8abf71240005.aspx' target='_blank'>Allantoin (5TMS)</a></td><td>1896.99829</td><td>1.001709</td><td>0.303958982</td><td>0.04892216</td><td>0.6062992</td><td>154</td><td>0.6474817</td><td>063fa226-ed62-4d9f-9d5c-ee52c0974e55</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/a999f0d6-0285-41d9-a6ba-b705987b663c.aspx' target='_blank'>a999f0d6-0285-41d9-a6ba-b705987b663c</a></td><td>65bb54d2-6bf7-4a53-aa22-8abf71240005</td></tr> <tr><td>20</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>21</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>22</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>23</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/8bf796f1-f7cf-4df5-afbc-979b0d95a383.aspx' target='_blank'>Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/da9d76f5-a2af-4fd1-89e1-c8426ad16980.aspx' target='_blank'>Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP</a></td><td>1893.44385</td><td>4.55619574</td><td>0.31787312</td><td>0.0340916663</td><td>0.892138958</td><td>488</td><td>0.8194986</td><td>8bf796f1-f7cf-4df5-afbc-979b0d95a383</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/00ce759f-d1f9-492e-89f7-b7400a34c72d.aspx' target='_blank'>00ce759f-d1f9-492e-89f7-b7400a34c72d</a></td><td>da9d76f5-a2af-4fd1-89e1-c8426ad16980</td></tr> <tr><td>23</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/817f2a03-9df5-46e3-973c-b2a9675109cf.aspx' target='_blank'>Allantoin (5TMS) [A188009-ambient-na-5]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/65bb54d2-6bf7-4a53-aa22-8abf71240005.aspx' target='_blank'>Allantoin (5TMS)</a></td><td>1896.99829</td><td>1.001709</td><td>0.40171</td><td>0.07521893</td><td>0.8239437</td><td>117</td><td>0.8287425</td><td>817f2a03-9df5-46e3-973c-b2a9675109cf</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/a999f0d6-0285-41d9-a6ba-b705987b663c.aspx' target='_blank'>a999f0d6-0285-41d9-a6ba-b705987b663c</a></td><td>65bb54d2-6bf7-4a53-aa22-8abf71240005</td></tr> <tr><td>23</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/7e14465a-7065-490c-9e50-e625c1c14f4d.aspx' target='_blank'>Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-5]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/163bf790-e995-46a9-8059-446172ddca0f.aspx' target='_blank'>Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP</a></td><td>1902.77417</td><td>4.77417</td><td>0.4068263</td><td>0.0493567176</td><td>0.832335353</td><td>278</td><td>0.7741276</td><td>7e14465a-7065-490c-9e50-e625c1c14f4d</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/87e988c4-f26c-4e03-9a40-1b0c0b36ca67.aspx' target='_blank'>87e988c4-f26c-4e03-9a40-1b0c0b36ca67</a></td><td>163bf790-e995-46a9-8059-446172ddca0f</td></tr> <tr><td>23</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/85927200-53a4-492a-ad57-0a7b1d8a6e85.aspx' target='_blank'>Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/2665f816-5c52-45ed-901e-4481cf048257.aspx' target='_blank'>Erythrose-4-phosphate (1MEOX) (4TMS) MP</a></td><td>1895.98438</td><td>2.01558065</td><td>0.412308335</td><td>0.0445760936</td><td>0.8578313</td><td>356</td><td>0.789270163</td><td>85927200-53a4-492a-ad57-0a7b1d8a6e85</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/d4f07f67-d45b-43b6-bd4c-d08708d1a7ad.aspx' target='_blank'>d4f07f67-d45b-43b6-bd4c-d08708d1a7ad</a></td><td>2665f816-5c52-45ed-901e-4481cf048257</td></tr> <tr><td>23</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/6e056b61-4da9-46e3-970b-680a22e4afd0.aspx' target='_blank'>Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--6]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/1c3ad0aa-ee78-4542-93b3-aa9fdf07add1.aspx' target='_blank'>Galactose (1MEOX) (5TMS) BP</a></td><td>1902.42212</td><td>4.422119</td><td>0.412312329</td><td>0.073175855</td><td>0.77922076</td><td>120</td><td>0.7812011</td><td>6e056b61-4da9-46e3-970b-680a22e4afd0</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/dd3ea070-54a6-4ea7-b99b-a6e975fdd204.aspx' target='_blank'>dd3ea070-54a6-4ea7-b99b-a6e975fdd204</a></td><td>1c3ad0aa-ee78-4542-93b3-aa9fdf07add1</td></tr> <tr><td>23</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/833ab58c-a8fa-4389-8b42-95e618cafb91.aspx' target='_blank'>Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-12]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/0a2b3536-2245-4c0e-bdbc-495766eeec67.aspx' target='_blank'>Glucose (1MEOX) (5TMS) BP</a></td><td>1899.05493</td><td>1.054953</td><td>0.413312733</td><td>0.0737450048</td><td>0.7697368</td><td>117</td><td>0.7728186</td><td>833ab58c-a8fa-4389-8b42-95e618cafb91</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/68513255-fc44-4041-bc4b-4fd2fae7541d.aspx' target='_blank'>68513255-fc44-4041-bc4b-4fd2fae7541d</a></td><td>0a2b3536-2245-4c0e-bdbc-495766eeec67</td></tr> <tr><td>23</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/27d4dcdd-d351-4976-8ef9-76a0cc53f631.aspx' target='_blank'>Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/96441b61-2891-4e81-93dc-d0fc0ad175d4.aspx' target='_blank'>Glucose, U-13C- (1MEOX) (5TMS) BP</a></td><td>1901.63</td><td>3.63</td><td>0.424154133</td><td>0.07648792</td><td>0.7724138</td><td>112</td><td>0.7785659</td><td>27d4dcdd-d351-4976-8ef9-76a0cc53f631</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/441faccb-2631-4e7d-b6ca-99437265ccb8.aspx' target='_blank'>441faccb-2631-4e7d-b6ca-99437265ccb8</a></td><td>96441b61-2891-4e81-93dc-d0fc0ad175d4</td></tr> <tr><td>23</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/d00de57d-6fab-49d0-9aee-25e259da9180.aspx' target='_blank'>Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/6f4e926f-d7ef-47b6-a52c-91ff88ca567a.aspx' target='_blank'>Idose (1MEOX) (5TMS) BP</a></td><td>1897.25439</td><td>0.745605469</td><td>0.43131122</td><td>0.07297143</td><td>0.820987642</td><td>133</td><td>0.819381952</td><td>d00de57d-6fab-49d0-9aee-25e259da9180</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/ab025068-f464-4bc6-9c92-994c29387db2.aspx' target='_blank'>ab025068-f464-4bc6-9c92-994c29387db2</a></td><td>6f4e926f-d7ef-47b6-a52c-91ff88ca567a</td></tr> <tr><td>23</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/c1d0193b-0442-41fe-aab0-fc2438624170.aspx' target='_blank'>Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) [A189024-ambient-na-2]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/471f9ab0-1cf5-40d3-ba88-edc2458d3242.aspx' target='_blank'>Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS)</a></td><td>1897.83862</td><td>0.161383286</td><td>0.437627643</td><td>0.0495146</td><td>0.8347339</td><td>298</td><td>0.7703705</td><td>c1d0193b-0442-41fe-aab0-fc2438624170</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff.aspx' target='_blank'>151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff</a></td><td>471f9ab0-1cf5-40d3-ba88-edc2458d3242</td></tr> <tr><td>24</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/ef78eeb1-ec7f-453d-90bd-cd1bf3b04153.aspx' target='_blank'>Galactose_3_5TMS [A190022-ambient-na-1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/17441428-6e9c-4caf-84d5-561b494df795.aspx' target='_blank'>Galactose_3_5TMS</a></td><td>1896.3114</td><td>1.68858171</td><td>0.232288077</td><td>0.0416352376</td><td>0.5074627</td><td>136</td><td>0.5617198</td><td>ef78eeb1-ec7f-453d-90bd-cd1bf3b04153</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/f01236e3-4d1e-493a-bd99-3aca2801f86e.aspx' target='_blank'>f01236e3-4d1e-493a-bd99-3aca2801f86e</a></td><td>17441428-6e9c-4caf-84d5-561b494df795</td></tr> <tr><td>24</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/0bfc9541-70d5-4d50-89c4-351a87971133.aspx' target='_blank'>Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--2]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/1c3ad0aa-ee78-4542-93b3-aa9fdf07add1.aspx' target='_blank'>Galactose (1MEOX) (5TMS) BP</a></td><td>1902.42212</td><td>4.422119</td><td>0.235254377</td><td>0.03180954</td><td>0.716129</td><td>333</td><td>0.6976916</td><td>0bfc9541-70d5-4d50-89c4-351a87971133</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/dd3ea070-54a6-4ea7-b99b-a6e975fdd204.aspx' target='_blank'>dd3ea070-54a6-4ea7-b99b-a6e975fdd204</a></td><td>1c3ad0aa-ee78-4542-93b3-aa9fdf07add1</td></tr> <tr><td>24</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/8d439b60-424f-46f7-b996-c0c2114f797e.aspx' target='_blank'>Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-20]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/0a2b3536-2245-4c0e-bdbc-495766eeec67.aspx' target='_blank'>Glucose (1MEOX) (5TMS) BP</a></td><td>1899.05493</td><td>1.054953</td><td>0.239975646</td><td>0.0519264452</td><td>0.606741548</td><td>108</td><td>0.65231514</td><td>8d439b60-424f-46f7-b996-c0c2114f797e</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/68513255-fc44-4041-bc4b-4fd2fae7541d.aspx' target='_blank'>68513255-fc44-4041-bc4b-4fd2fae7541d</a></td><td>0a2b3536-2245-4c0e-bdbc-495766eeec67</td></tr> <tr><td>24</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/d00de57d-6fab-49d0-9aee-25e259da9180.aspx' target='_blank'>Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/6f4e926f-d7ef-47b6-a52c-91ff88ca567a.aspx' target='_blank'>Idose (1MEOX) (5TMS) BP</a></td><td>1897.25439</td><td>0.745605469</td><td>0.2622103</td><td>0.0521268174</td><td>0.55440414</td><td>107</td><td>0.6185626</td><td>d00de57d-6fab-49d0-9aee-25e259da9180</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/ab025068-f464-4bc6-9c92-994c29387db2.aspx' target='_blank'>ab025068-f464-4bc6-9c92-994c29387db2</a></td><td>6f4e926f-d7ef-47b6-a52c-91ff88ca567a</td></tr> <tr><td>24</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/11e07008-ff9d-4d76-9b09-590beaa90f22.aspx' target='_blank'>Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--8]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/539fe164-0ea9-4509-bf37-fc9bc8073646.aspx' target='_blank'>Glucose, 2-amino-2-deoxy- (5TMS) MP</a></td><td>1899.495</td><td>1.49494946</td><td>0.2700426</td><td>0.04423608</td><td>0.510869563</td><td>141</td><td>0.560991943</td><td>11e07008-ff9d-4d76-9b09-590beaa90f22</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6.aspx' target='_blank'>2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6</a></td><td>539fe164-0ea9-4509-bf37-fc9bc8073646</td></tr> <tr><td>24</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/8bf796f1-f7cf-4df5-afbc-979b0d95a383.aspx' target='_blank'>Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/da9d76f5-a2af-4fd1-89e1-c8426ad16980.aspx' target='_blank'>Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP</a></td><td>1893.44385</td><td>4.55619574</td><td>0.286982745</td><td>0.03230439</td><td>0.7381818</td><td>406</td><td>0.701555133</td><td>8bf796f1-f7cf-4df5-afbc-979b0d95a383</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/00ce759f-d1f9-492e-89f7-b7400a34c72d.aspx' target='_blank'>00ce759f-d1f9-492e-89f7-b7400a34c72d</a></td><td>da9d76f5-a2af-4fd1-89e1-c8426ad16980</td></tr> <tr><td>24</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/6c360eba-d726-44d9-a666-d0695d8448cf.aspx' target='_blank'>Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-7]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/96441b61-2891-4e81-93dc-d0fc0ad175d4.aspx' target='_blank'>Glucose, U-13C- (1MEOX) (5TMS) BP</a></td><td>1901.63</td><td>3.63</td><td>0.3181354</td><td>0.0596203469</td><td>0.798882663</td><td>143</td><td>0.799955</td><td>6c360eba-d726-44d9-a666-d0695d8448cf</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/441faccb-2631-4e7d-b6ca-99437265ccb8.aspx' target='_blank'>441faccb-2631-4e7d-b6ca-99437265ccb8</a></td><td>96441b61-2891-4e81-93dc-d0fc0ad175d4</td></tr> <tr><td>24</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/85927200-53a4-492a-ad57-0a7b1d8a6e85.aspx' target='_blank'>Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/2665f816-5c52-45ed-901e-4481cf048257.aspx' target='_blank'>Erythrose-4-phosphate (1MEOX) (4TMS) MP</a></td><td>1895.98438</td><td>2.01558065</td><td>0.35163945</td><td>0.0409691334</td><td>0.6587112</td><td>276</td><td>0.648871064</td><td>85927200-53a4-492a-ad57-0a7b1d8a6e85</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/d4f07f67-d45b-43b6-bd4c-d08708d1a7ad.aspx' target='_blank'>d4f07f67-d45b-43b6-bd4c-d08708d1a7ad</a></td><td>2665f816-5c52-45ed-901e-4481cf048257</td></tr> <tr><td>25</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>26</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/ef78eeb1-ec7f-453d-90bd-cd1bf3b04153.aspx' target='_blank'>Galactose_3_5TMS [A190022-ambient-na-1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/17441428-6e9c-4caf-84d5-561b494df795.aspx' target='_blank'>Galactose_3_5TMS</a></td><td>1896.3114</td><td>1.68858171</td><td>0.19449544</td><td>0.03802713</td><td>0.583643138</td><td>157</td><td>0.614511251</td><td>ef78eeb1-ec7f-453d-90bd-cd1bf3b04153</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/f01236e3-4d1e-493a-bd99-3aca2801f86e.aspx' target='_blank'>f01236e3-4d1e-493a-bd99-3aca2801f86e</a></td><td>17441428-6e9c-4caf-84d5-561b494df795</td></tr> <tr><td>26</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/1f3b3037-bb9d-45fa-9a9c-70cc299da470.aspx' target='_blank'>Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--17]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/1c3ad0aa-ee78-4542-93b3-aa9fdf07add1.aspx' target='_blank'>Galactose (1MEOX) (5TMS) BP</a></td><td>1902.42212</td><td>4.422119</td><td>0.3217005</td><td>0.0406170674</td><td>0.6871795</td><td>268</td><td>0.670606434</td><td>1f3b3037-bb9d-45fa-9a9c-70cc299da470</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/dd3ea070-54a6-4ea7-b99b-a6e975fdd204.aspx' target='_blank'>dd3ea070-54a6-4ea7-b99b-a6e975fdd204</a></td><td>1c3ad0aa-ee78-4542-93b3-aa9fdf07add1</td></tr> <tr><td>26</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/8dee81a1-8d98-4a73-b55d-9de42f10e190.aspx' target='_blank'>Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-34]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/0a2b3536-2245-4c0e-bdbc-495766eeec67.aspx' target='_blank'>Glucose (1MEOX) (5TMS) BP</a></td><td>1899.05493</td><td>1.054953</td><td>0.344280958</td><td>0.0430808775</td><td>0.6792453</td><td>252</td><td>0.6687114</td><td>8dee81a1-8d98-4a73-b55d-9de42f10e190</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/68513255-fc44-4041-bc4b-4fd2fae7541d.aspx' target='_blank'>68513255-fc44-4041-bc4b-4fd2fae7541d</a></td><td>0a2b3536-2245-4c0e-bdbc-495766eeec67</td></tr> <tr><td>26</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/d00de57d-6fab-49d0-9aee-25e259da9180.aspx' target='_blank'>Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/6f4e926f-d7ef-47b6-a52c-91ff88ca567a.aspx' target='_blank'>Idose (1MEOX) (5TMS) BP</a></td><td>1897.25439</td><td>0.745605469</td><td>0.395884931</td><td>0.06784772</td><td>0.4883721</td><td>84</td><td>0.5683281</td><td>d00de57d-6fab-49d0-9aee-25e259da9180</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/ab025068-f464-4bc6-9c92-994c29387db2.aspx' target='_blank'>ab025068-f464-4bc6-9c92-994c29387db2</a></td><td>6f4e926f-d7ef-47b6-a52c-91ff88ca567a</td></tr> <tr><td>26</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/754097ce-c7df-40cb-bec1-ba8b0fad83f8.aspx' target='_blank'>Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--3]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/539fe164-0ea9-4509-bf37-fc9bc8073646.aspx' target='_blank'>Glucose, 2-amino-2-deoxy- (5TMS) MP</a></td><td>1899.495</td><td>1.49494946</td><td>0.427320033</td><td>0.04681223</td><td>0.6769231</td><td>264</td><td>0.659248</td><td>754097ce-c7df-40cb-bec1-ba8b0fad83f8</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6.aspx' target='_blank'>2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6</a></td><td>539fe164-0ea9-4509-bf37-fc9bc8073646</td></tr> <tr><td>26</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/2b364030-9fa7-4066-b685-52d7946110a6.aspx' target='_blank'>Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/da9d76f5-a2af-4fd1-89e1-c8426ad16980.aspx' target='_blank'>Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP</a></td><td>1893.44385</td><td>4.55619574</td><td>0.427679241</td><td>0.06071977</td><td>0.5301724</td><td>123</td><td>0.5829808</td><td>2b364030-9fa7-4066-b685-52d7946110a6</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/00ce759f-d1f9-492e-89f7-b7400a34c72d.aspx' target='_blank'>00ce759f-d1f9-492e-89f7-b7400a34c72d</a></td><td>da9d76f5-a2af-4fd1-89e1-c8426ad16980</td></tr> <tr><td>26</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/27d4dcdd-d351-4976-8ef9-76a0cc53f631.aspx' target='_blank'>Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/96441b61-2891-4e81-93dc-d0fc0ad175d4.aspx' target='_blank'>Glucose, U-13C- (1MEOX) (5TMS) BP</a></td><td>1901.63</td><td>3.63</td><td>0.465603054</td><td>0.07114003</td><td>0.6576087</td><td>121</td><td>0.69967103</td><td>27d4dcdd-d351-4976-8ef9-76a0cc53f631</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/441faccb-2631-4e7d-b6ca-99437265ccb8.aspx' target='_blank'>441faccb-2631-4e7d-b6ca-99437265ccb8</a></td><td>96441b61-2891-4e81-93dc-d0fc0ad175d4</td></tr> <tr><td>26</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/8216bdb2-7a7d-440c-95eb-7e63f8e8c502.aspx' target='_blank'>Allantoin (5TMS) [A188009-ambient-na-3]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/65bb54d2-6bf7-4a53-aa22-8abf71240005.aspx' target='_blank'>Allantoin (5TMS)</a></td><td>1896.99829</td><td>1.001709</td><td>0.465666384</td><td>0.0664371848</td><td>0.592417061</td><td>125</td><td>0.644419968</td><td>8216bdb2-7a7d-440c-95eb-7e63f8e8c502</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/a999f0d6-0285-41d9-a6ba-b705987b663c.aspx' target='_blank'>a999f0d6-0285-41d9-a6ba-b705987b663c</a></td><td>65bb54d2-6bf7-4a53-aa22-8abf71240005</td></tr> <tr><td>27</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>28</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>29</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/3077498f-10ce-4b5c-ba6a-9b6f439e8248.aspx' target='_blank'>Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-13]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/0a2b3536-2245-4c0e-bdbc-495766eeec67.aspx' target='_blank'>Glucose (1MEOX) (5TMS) BP</a></td><td>1899.05493</td><td>1.054953</td><td>0.09931051</td><td>0.03675817</td><td>0.8707483</td><td>128</td><td>0.838178635</td><td>3077498f-10ce-4b5c-ba6a-9b6f439e8248</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/68513255-fc44-4041-bc4b-4fd2fae7541d.aspx' target='_blank'>68513255-fc44-4041-bc4b-4fd2fae7541d</a></td><td>0a2b3536-2245-4c0e-bdbc-495766eeec67</td></tr> <tr><td>29</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/39e48209-b3a4-41cf-b83d-78d92a054d12.aspx' target='_blank'>Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--7]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/1c3ad0aa-ee78-4542-93b3-aa9fdf07add1.aspx' target='_blank'>Galactose (1MEOX) (5TMS) BP</a></td><td>1902.42212</td><td>4.422119</td><td>0.421677</td><td>0.06322134</td><td>0.890995264</td><td>188</td><td>0.8402361</td><td>39e48209-b3a4-41cf-b83d-78d92a054d12</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/dd3ea070-54a6-4ea7-b99b-a6e975fdd204.aspx' target='_blank'>dd3ea070-54a6-4ea7-b99b-a6e975fdd204</a></td><td>1c3ad0aa-ee78-4542-93b3-aa9fdf07add1</td></tr> <tr><td>30</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/34a5b91e-e473-4ed6-9a40-067e0cd944f9.aspx' target='_blank'>Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-2]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/0a2b3536-2245-4c0e-bdbc-495766eeec67.aspx' target='_blank'>Glucose (1MEOX) (5TMS) BP</a></td><td>1899.05493</td><td>1.054953</td><td>0.2612175</td><td>0.05961526</td><td>0.877551</td><td>129</td><td>0.8724958</td><td>34a5b91e-e473-4ed6-9a40-067e0cd944f9</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/68513255-fc44-4041-bc4b-4fd2fae7541d.aspx' target='_blank'>68513255-fc44-4041-bc4b-4fd2fae7541d</a></td><td>0a2b3536-2245-4c0e-bdbc-495766eeec67</td></tr> <tr><td>30</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/0bfc9541-70d5-4d50-89c4-351a87971133.aspx' target='_blank'>Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--2]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/1c3ad0aa-ee78-4542-93b3-aa9fdf07add1.aspx' target='_blank'>Galactose (1MEOX) (5TMS) BP</a></td><td>1902.42212</td><td>4.422119</td><td>0.308447272</td><td>0.0369433463</td><td>0.8960177</td><td>405</td><td>0.826731861</td><td>0bfc9541-70d5-4d50-89c4-351a87971133</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/dd3ea070-54a6-4ea7-b99b-a6e975fdd204.aspx' target='_blank'>dd3ea070-54a6-4ea7-b99b-a6e975fdd204</a></td><td>1c3ad0aa-ee78-4542-93b3-aa9fdf07add1</td></tr> <tr><td>30</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/6c360eba-d726-44d9-a666-d0695d8448cf.aspx' target='_blank'>Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-7]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/96441b61-2891-4e81-93dc-d0fc0ad175d4.aspx' target='_blank'>Glucose, U-13C- (1MEOX) (5TMS) BP</a></td><td>1901.63</td><td>3.63</td><td>0.31029287</td><td>0.07687874</td><td>0.8857143</td><td>93</td><td>0.8900069</td><td>6c360eba-d726-44d9-a666-d0695d8448cf</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/441faccb-2631-4e7d-b6ca-99437265ccb8.aspx' target='_blank'>441faccb-2631-4e7d-b6ca-99437265ccb8</a></td><td>96441b61-2891-4e81-93dc-d0fc0ad175d4</td></tr> <tr><td>30</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/d00de57d-6fab-49d0-9aee-25e259da9180.aspx' target='_blank'>Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/6f4e926f-d7ef-47b6-a52c-91ff88ca567a.aspx' target='_blank'>Idose (1MEOX) (5TMS) BP</a></td><td>1897.25439</td><td>0.745605469</td><td>0.328630984</td><td>0.0649093</td><td>0.8397436</td><td>131</td><td>0.8301488</td><td>d00de57d-6fab-49d0-9aee-25e259da9180</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/ab025068-f464-4bc6-9c92-994c29387db2.aspx' target='_blank'>ab025068-f464-4bc6-9c92-994c29387db2</a></td><td>6f4e926f-d7ef-47b6-a52c-91ff88ca567a</td></tr> <tr><td>30</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/2b364030-9fa7-4066-b685-52d7946110a6.aspx' target='_blank'>Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/da9d76f5-a2af-4fd1-89e1-c8426ad16980.aspx' target='_blank'>Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP</a></td><td>1893.44385</td><td>4.55619574</td><td>0.3761082</td><td>0.0575649925</td><td>0.845815</td><td>192</td><td>0.810805559</td><td>2b364030-9fa7-4066-b685-52d7946110a6</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/00ce759f-d1f9-492e-89f7-b7400a34c72d.aspx' target='_blank'>00ce759f-d1f9-492e-89f7-b7400a34c72d</a></td><td>da9d76f5-a2af-4fd1-89e1-c8426ad16980</td></tr> <tr><td>30</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/c1d0193b-0442-41fe-aab0-fc2438624170.aspx' target='_blank'>Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) [A189024-ambient-na-2]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/471f9ab0-1cf5-40d3-ba88-edc2458d3242.aspx' target='_blank'>Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS)</a></td><td>1897.83862</td><td>0.161383286</td><td>0.3884204</td><td>0.04664788</td><td>0.8627451</td><td>308</td><td>0.7934234</td><td>c1d0193b-0442-41fe-aab0-fc2438624170</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff.aspx' target='_blank'>151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff</a></td><td>471f9ab0-1cf5-40d3-ba88-edc2458d3242</td></tr> <tr><td>30</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/d943c34e-3a28-43a2-9cbc-a05ab6a7a506.aspx' target='_blank'>Allantoin (5TMS) [A188009-ambient-na-4]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/65bb54d2-6bf7-4a53-aa22-8abf71240005.aspx' target='_blank'>Allantoin (5TMS)</a></td><td>1896.99829</td><td>1.001709</td><td>0.3937276</td><td>0.0530314967</td><td>0.85</td><td>238</td><td>0.7980373</td><td>d943c34e-3a28-43a2-9cbc-a05ab6a7a506</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/a999f0d6-0285-41d9-a6ba-b705987b663c.aspx' target='_blank'>a999f0d6-0285-41d9-a6ba-b705987b663c</a></td><td>65bb54d2-6bf7-4a53-aa22-8abf71240005</td></tr> <tr><td>30</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/754097ce-c7df-40cb-bec1-ba8b0fad83f8.aspx' target='_blank'>Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--3]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/539fe164-0ea9-4509-bf37-fc9bc8073646.aspx' target='_blank'>Glucose, 2-amino-2-deoxy- (5TMS) MP</a></td><td>1899.495</td><td>1.49494946</td><td>0.412831277</td><td>0.04613021</td><td>0.873711348</td><td>339</td><td>0.8028878</td><td>754097ce-c7df-40cb-bec1-ba8b0fad83f8</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6.aspx' target='_blank'>2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6</a></td><td>539fe164-0ea9-4509-bf37-fc9bc8073646</td></tr> <tr><td>31</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>32</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/ef78eeb1-ec7f-453d-90bd-cd1bf3b04153.aspx' target='_blank'>Galactose_3_5TMS [A190022-ambient-na-1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/17441428-6e9c-4caf-84d5-561b494df795.aspx' target='_blank'>Galactose_3_5TMS</a></td><td>1896.3114</td><td>1.68858171</td><td>0.285083026</td><td>0.0468289033</td><td>0.8923077</td><td>232</td><td>0.838121355</td><td>ef78eeb1-ec7f-453d-90bd-cd1bf3b04153</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/f01236e3-4d1e-493a-bd99-3aca2801f86e.aspx' target='_blank'>f01236e3-4d1e-493a-bd99-3aca2801f86e</a></td><td>17441428-6e9c-4caf-84d5-561b494df795</td></tr> <tr><td>33</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>34</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>35</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>36</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>37</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>38</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>39</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>40</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/6e056b61-4da9-46e3-970b-680a22e4afd0.aspx' target='_blank'>Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--6]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/1c3ad0aa-ee78-4542-93b3-aa9fdf07add1.aspx' target='_blank'>Galactose (1MEOX) (5TMS) BP</a></td><td>1902.42212</td><td>4.422119</td><td>0.277911574</td><td>0.06256395</td><td>0.732394338</td><td>104</td><td>0.729044855</td><td>6e056b61-4da9-46e3-970b-680a22e4afd0</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/dd3ea070-54a6-4ea7-b99b-a6e975fdd204.aspx' target='_blank'>dd3ea070-54a6-4ea7-b99b-a6e975fdd204</a></td><td>1c3ad0aa-ee78-4542-93b3-aa9fdf07add1</td></tr> <tr><td>40</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/833ab58c-a8fa-4389-8b42-95e618cafb91.aspx' target='_blank'>Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-12]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/0a2b3536-2245-4c0e-bdbc-495766eeec67.aspx' target='_blank'>Glucose (1MEOX) (5TMS) BP</a></td><td>1899.05493</td><td>1.054953</td><td>0.278482944</td><td>0.06262823</td><td>0.7394366</td><td>105</td><td>0.736245036</td><td>833ab58c-a8fa-4389-8b42-95e618cafb91</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/68513255-fc44-4041-bc4b-4fd2fae7541d.aspx' target='_blank'>68513255-fc44-4041-bc4b-4fd2fae7541d</a></td><td>0a2b3536-2245-4c0e-bdbc-495766eeec67</td></tr> <tr><td>40</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/d00de57d-6fab-49d0-9aee-25e259da9180.aspx' target='_blank'>Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/6f4e926f-d7ef-47b6-a52c-91ff88ca567a.aspx' target='_blank'>Idose (1MEOX) (5TMS) BP</a></td><td>1897.25439</td><td>0.745605469</td><td>0.280440927</td><td>0.0621944554</td><td>0.737931</td><td>107</td><td>0.732707858</td><td>d00de57d-6fab-49d0-9aee-25e259da9180</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/ab025068-f464-4bc6-9c92-994c29387db2.aspx' target='_blank'>ab025068-f464-4bc6-9c92-994c29387db2</a></td><td>6f4e926f-d7ef-47b6-a52c-91ff88ca567a</td></tr> <tr><td>40</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/27d4dcdd-d351-4976-8ef9-76a0cc53f631.aspx' target='_blank'>Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/96441b61-2891-4e81-93dc-d0fc0ad175d4.aspx' target='_blank'>Glucose, U-13C- (1MEOX) (5TMS) BP</a></td><td>1901.63</td><td>3.63</td><td>0.2874546</td><td>0.0645446256</td><td>0.768115938</td><td>106</td><td>0.7676177</td><td>27d4dcdd-d351-4976-8ef9-76a0cc53f631</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/441faccb-2631-4e7d-b6ca-99437265ccb8.aspx' target='_blank'>441faccb-2631-4e7d-b6ca-99437265ccb8</a></td><td>96441b61-2891-4e81-93dc-d0fc0ad175d4</td></tr> <tr><td>40</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/817f2a03-9df5-46e3-973c-b2a9675109cf.aspx' target='_blank'>Allantoin (5TMS) [A188009-ambient-na-5]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/65bb54d2-6bf7-4a53-aa22-8abf71240005.aspx' target='_blank'>Allantoin (5TMS)</a></td><td>1896.99829</td><td>1.001709</td><td>0.2895849</td><td>0.06674693</td><td>0.77692306</td><td>101</td><td>0.7805435</td><td>817f2a03-9df5-46e3-973c-b2a9675109cf</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/a999f0d6-0285-41d9-a6ba-b705987b663c.aspx' target='_blank'>a999f0d6-0285-41d9-a6ba-b705987b663c</a></td><td>65bb54d2-6bf7-4a53-aa22-8abf71240005</td></tr> <tr><td>40</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/85927200-53a4-492a-ad57-0a7b1d8a6e85.aspx' target='_blank'>Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/2665f816-5c52-45ed-901e-4481cf048257.aspx' target='_blank'>Erythrose-4-phosphate (1MEOX) (4TMS) MP</a></td><td>1895.98438</td><td>2.01558065</td><td>0.2977326</td><td>0.0378339365</td><td>0.8798077</td><td>366</td><td>0.810132563</td><td>85927200-53a4-492a-ad57-0a7b1d8a6e85</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/d4f07f67-d45b-43b6-bd4c-d08708d1a7ad.aspx' target='_blank'>d4f07f67-d45b-43b6-bd4c-d08708d1a7ad</a></td><td>2665f816-5c52-45ed-901e-4481cf048257</td></tr> <tr><td>40</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/2b364030-9fa7-4066-b685-52d7946110a6.aspx' target='_blank'>Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/da9d76f5-a2af-4fd1-89e1-c8426ad16980.aspx' target='_blank'>Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP</a></td><td>1893.44385</td><td>4.55619574</td><td>0.297866017</td><td>0.0522753857</td><td>0.788990855</td><td>172</td><td>0.7474291</td><td>2b364030-9fa7-4066-b685-52d7946110a6</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/00ce759f-d1f9-492e-89f7-b7400a34c72d.aspx' target='_blank'>00ce759f-d1f9-492e-89f7-b7400a34c72d</a></td><td>da9d76f5-a2af-4fd1-89e1-c8426ad16980</td></tr> <tr><td>40</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/754097ce-c7df-40cb-bec1-ba8b0fad83f8.aspx' target='_blank'>Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--3]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/539fe164-0ea9-4509-bf37-fc9bc8073646.aspx' target='_blank'>Glucose, 2-amino-2-deoxy- (5TMS) MP</a></td><td>1899.495</td><td>1.49494946</td><td>0.3113892</td><td>0.0400636867</td><td>0.8685567</td><td>337</td><td>0.798404</td><td>754097ce-c7df-40cb-bec1-ba8b0fad83f8</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6.aspx' target='_blank'>2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6</a></td><td>539fe164-0ea9-4509-bf37-fc9bc8073646</td></tr> <tr><td>40</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/c1d0193b-0442-41fe-aab0-fc2438624170.aspx' target='_blank'>Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) [A189024-ambient-na-2]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/471f9ab0-1cf5-40d3-ba88-edc2458d3242.aspx' target='_blank'>Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS)</a></td><td>1897.83862</td><td>0.161383286</td><td>0.3266352</td><td>0.042777203</td><td>0.857142866</td><td>306</td><td>0.7886923</td><td>c1d0193b-0442-41fe-aab0-fc2438624170</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff.aspx' target='_blank'>151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff</a></td><td>471f9ab0-1cf5-40d3-ba88-edc2458d3242</td></tr> <tr><td>41</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/34a5b91e-e473-4ed6-9a40-067e0cd944f9.aspx' target='_blank'>Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-2]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/0a2b3536-2245-4c0e-bdbc-495766eeec67.aspx' target='_blank'>Glucose (1MEOX) (5TMS) BP</a></td><td>1899.05493</td><td>1.054953</td><td>0.274106264</td><td>0.0659613</td><td>0.880952358</td><td>111</td><td>0.8493862</td><td>34a5b91e-e473-4ed6-9a40-067e0cd944f9</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/68513255-fc44-4041-bc4b-4fd2fae7541d.aspx' target='_blank'>68513255-fc44-4041-bc4b-4fd2fae7541d</a></td><td>0a2b3536-2245-4c0e-bdbc-495766eeec67</td></tr> <tr><td>41</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/aa553c8b-f188-48eb-ae82-5d7769781ff3.aspx' target='_blank'>Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--4]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/1c3ad0aa-ee78-4542-93b3-aa9fdf07add1.aspx' target='_blank'>Galactose (1MEOX) (5TMS) BP</a></td><td>1902.42212</td><td>4.422119</td><td>0.3795422</td><td>0.0640559047</td><td>0.8972973</td><td>166</td><td>0.846152842</td><td>aa553c8b-f188-48eb-ae82-5d7769781ff3</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/dd3ea070-54a6-4ea7-b99b-a6e975fdd204.aspx' target='_blank'>dd3ea070-54a6-4ea7-b99b-a6e975fdd204</a></td><td>1c3ad0aa-ee78-4542-93b3-aa9fdf07add1</td></tr> <tr><td>41</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/6c360eba-d726-44d9-a666-d0695d8448cf.aspx' target='_blank'>Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-7]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/96441b61-2891-4e81-93dc-d0fc0ad175d4.aspx' target='_blank'>Glucose, U-13C- (1MEOX) (5TMS) BP</a></td><td>1901.63</td><td>3.63</td><td>0.388783872</td><td>0.09984397</td><td>0.8076923</td><td>63</td><td>0.7976193</td><td>6c360eba-d726-44d9-a666-d0695d8448cf</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/441faccb-2631-4e7d-b6ca-99437265ccb8.aspx' target='_blank'>441faccb-2631-4e7d-b6ca-99437265ccb8</a></td><td>96441b61-2891-4e81-93dc-d0fc0ad175d4</td></tr> <tr><td>41</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/d00de57d-6fab-49d0-9aee-25e259da9180.aspx' target='_blank'>Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/6f4e926f-d7ef-47b6-a52c-91ff88ca567a.aspx' target='_blank'>Idose (1MEOX) (5TMS) BP</a></td><td>1897.25439</td><td>0.745605469</td><td>0.411971271</td><td>0.07755114</td><td>0.8540146</td><td>117</td><td>0.807369</td><td>d00de57d-6fab-49d0-9aee-25e259da9180</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/ab025068-f464-4bc6-9c92-994c29387db2.aspx' target='_blank'>ab025068-f464-4bc6-9c92-994c29387db2</a></td><td>6f4e926f-d7ef-47b6-a52c-91ff88ca567a</td></tr> <tr><td>42</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>43</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>44</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/1ac5af55-f8bc-49fd-9808-23a0722c0288.aspx' target='_blank'>Hexadecenoic acid methyl ester, 9-(Z)-, n- [A190014-ambient-n--1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/75683e89-302c-4280-a15e-e1187cd75ceb.aspx' target='_blank'>Hexadecenoic acid methyl ester, 9-(Z)-, n-</a></td><td>1897.67859</td><td>0.321411133</td><td>0.496792018</td><td>0.0564319454</td><td>0.8076923</td><td>252</td><td>0.7531352</td><td>1ac5af55-f8bc-49fd-9808-23a0722c0288</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/75683e89-302c-4280-a15e-e1187cd75ceb.aspx' target='_blank'>75683e89-302c-4280-a15e-e1187cd75ceb</a></td><td>75683e89-302c-4280-a15e-e1187cd75ceb</td></tr> <tr><td>45</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/817f2a03-9df5-46e3-973c-b2a9675109cf.aspx' target='_blank'>Allantoin (5TMS) [A188009-ambient-na-5]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/65bb54d2-6bf7-4a53-aa22-8abf71240005.aspx' target='_blank'>Allantoin (5TMS)</a></td><td>1896.99829</td><td>1.001709</td><td>0.240036309</td><td>0.0654703155</td><td>0.8660714</td><td>97</td><td>0.817842841</td><td>817f2a03-9df5-46e3-973c-b2a9675109cf</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/a999f0d6-0285-41d9-a6ba-b705987b663c.aspx' target='_blank'>a999f0d6-0285-41d9-a6ba-b705987b663c</a></td><td>65bb54d2-6bf7-4a53-aa22-8abf71240005</td></tr> <tr><td>45</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/6e056b61-4da9-46e3-970b-680a22e4afd0.aspx' target='_blank'>Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--6]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/1c3ad0aa-ee78-4542-93b3-aa9fdf07add1.aspx' target='_blank'>Galactose (1MEOX) (5TMS) BP</a></td><td>1902.42212</td><td>4.422119</td><td>0.295640856</td><td>0.06642703</td><td>0.8955224</td><td>120</td><td>0.846885443</td><td>6e056b61-4da9-46e3-970b-680a22e4afd0</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/dd3ea070-54a6-4ea7-b99b-a6e975fdd204.aspx' target='_blank'>dd3ea070-54a6-4ea7-b99b-a6e975fdd204</a></td><td>1c3ad0aa-ee78-4542-93b3-aa9fdf07add1</td></tr> <tr><td>45</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/833ab58c-a8fa-4389-8b42-95e618cafb91.aspx' target='_blank'>Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-12]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/0a2b3536-2245-4c0e-bdbc-495766eeec67.aspx' target='_blank'>Glucose (1MEOX) (5TMS) BP</a></td><td>1899.05493</td><td>1.054953</td><td>0.2960842</td><td>0.06672626</td><td>0.8947368</td><td>119</td><td>0.8462343</td><td>833ab58c-a8fa-4389-8b42-95e618cafb91</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/68513255-fc44-4041-bc4b-4fd2fae7541d.aspx' target='_blank'>68513255-fc44-4041-bc4b-4fd2fae7541d</a></td><td>0a2b3536-2245-4c0e-bdbc-495766eeec67</td></tr> <tr><td>45</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/27d4dcdd-d351-4976-8ef9-76a0cc53f631.aspx' target='_blank'>Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/96441b61-2891-4e81-93dc-d0fc0ad175d4.aspx' target='_blank'>Glucose, U-13C- (1MEOX) (5TMS) BP</a></td><td>1901.63</td><td>3.63</td><td>0.30949235</td><td>0.07036958</td><td>0.896</td><td>112</td><td>0.8524104</td><td>27d4dcdd-d351-4976-8ef9-76a0cc53f631</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/441faccb-2631-4e7d-b6ca-99437265ccb8.aspx' target='_blank'>441faccb-2631-4e7d-b6ca-99437265ccb8</a></td><td>96441b61-2891-4e81-93dc-d0fc0ad175d4</td></tr> <tr><td>45</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/d00de57d-6fab-49d0-9aee-25e259da9180.aspx' target='_blank'>Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/6f4e926f-d7ef-47b6-a52c-91ff88ca567a.aspx' target='_blank'>Idose (1MEOX) (5TMS) BP</a></td><td>1897.25439</td><td>0.745605469</td><td>0.321015328</td><td>0.0684569553</td><td>0.8978102</td><td>123</td><td>0.8487915</td><td>d00de57d-6fab-49d0-9aee-25e259da9180</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/ab025068-f464-4bc6-9c92-994c29387db2.aspx' target='_blank'>ab025068-f464-4bc6-9c92-994c29387db2</a></td><td>6f4e926f-d7ef-47b6-a52c-91ff88ca567a</td></tr> <tr><td>46</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>47</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>48</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>49</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/27d4dcdd-d351-4976-8ef9-76a0cc53f631.aspx' target='_blank'>Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/96441b61-2891-4e81-93dc-d0fc0ad175d4.aspx' target='_blank'>Glucose, U-13C- (1MEOX) (5TMS) BP</a></td><td>1901.63</td><td>3.63</td><td>0.339354962</td><td>0.06794906</td><td>0.789115667</td><td>116</td><td>0.7937466</td><td>27d4dcdd-d351-4976-8ef9-76a0cc53f631</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/441faccb-2631-4e7d-b6ca-99437265ccb8.aspx' target='_blank'>441faccb-2631-4e7d-b6ca-99437265ccb8</a></td><td>96441b61-2891-4e81-93dc-d0fc0ad175d4</td></tr> <tr><td>49</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/8bbd7202-8794-4486-8b16-61d8dff4c5bd.aspx' target='_blank'>Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-9]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/163bf790-e995-46a9-8059-446172ddca0f.aspx' target='_blank'>Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP</a></td><td>1902.77417</td><td>4.77417</td><td>0.3519312</td><td>0.0481179468</td><td>0.858552635</td><td>261</td><td>0.8186131</td><td>8bbd7202-8794-4486-8b16-61d8dff4c5bd</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/87e988c4-f26c-4e03-9a40-1b0c0b36ca67.aspx' target='_blank'>87e988c4-f26c-4e03-9a40-1b0c0b36ca67</a></td><td>163bf790-e995-46a9-8059-446172ddca0f</td></tr> <tr><td>49</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/e62d396e-0d3a-4414-88f0-021d5142f09b.aspx' target='_blank'>Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/0a2b3536-2245-4c0e-bdbc-495766eeec67.aspx' target='_blank'>Glucose (1MEOX) (5TMS) BP</a></td><td>1899.05493</td><td>1.054953</td><td>0.359753639</td><td>0.040576715</td><td>0.8741419</td><td>382</td><td>0.809872568</td><td>e62d396e-0d3a-4414-88f0-021d5142f09b</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/68513255-fc44-4041-bc4b-4fd2fae7541d.aspx' target='_blank'>68513255-fc44-4041-bc4b-4fd2fae7541d</a></td><td>0a2b3536-2245-4c0e-bdbc-495766eeec67</td></tr> <tr><td>49</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/85927200-53a4-492a-ad57-0a7b1d8a6e85.aspx' target='_blank'>Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/2665f816-5c52-45ed-901e-4481cf048257.aspx' target='_blank'>Erythrose-4-phosphate (1MEOX) (4TMS) MP</a></td><td>1895.98438</td><td>2.01558065</td><td>0.360862046</td><td>0.04160232</td><td>0.8633093</td><td>360</td><td>0.797326</td><td>85927200-53a4-492a-ad57-0a7b1d8a6e85</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/d4f07f67-d45b-43b6-bd4c-d08708d1a7ad.aspx' target='_blank'>d4f07f67-d45b-43b6-bd4c-d08708d1a7ad</a></td><td>2665f816-5c52-45ed-901e-4481cf048257</td></tr> <tr><td>49</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/c1226b8e-944e-4d32-ae01-8a9d12465d34.aspx' target='_blank'>Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--9]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/1c3ad0aa-ee78-4542-93b3-aa9fdf07add1.aspx' target='_blank'>Galactose (1MEOX) (5TMS) BP</a></td><td>1902.42212</td><td>4.422119</td><td>0.369685978</td><td>0.0597649142</td><td>0.845410645</td><td>175</td><td>0.8303501</td><td>c1226b8e-944e-4d32-ae01-8a9d12465d34</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/dd3ea070-54a6-4ea7-b99b-a6e975fdd204.aspx' target='_blank'>dd3ea070-54a6-4ea7-b99b-a6e975fdd204</a></td><td>1c3ad0aa-ee78-4542-93b3-aa9fdf07add1</td></tr> <tr><td>49</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/2b364030-9fa7-4066-b685-52d7946110a6.aspx' target='_blank'>Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/da9d76f5-a2af-4fd1-89e1-c8426ad16980.aspx' target='_blank'>Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP</a></td><td>1893.44385</td><td>4.55619574</td><td>0.373405039</td><td>0.0552105457</td><td>0.8897959</td><td>218</td><td>0.871291757</td><td>2b364030-9fa7-4066-b685-52d7946110a6</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/00ce759f-d1f9-492e-89f7-b7400a34c72d.aspx' target='_blank'>00ce759f-d1f9-492e-89f7-b7400a34c72d</a></td><td>da9d76f5-a2af-4fd1-89e1-c8426ad16980</td></tr> <tr><td>49</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/c1d0193b-0442-41fe-aab0-fc2438624170.aspx' target='_blank'>Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) [A189024-ambient-na-2]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/471f9ab0-1cf5-40d3-ba88-edc2458d3242.aspx' target='_blank'>Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS)</a></td><td>1897.83862</td><td>0.161383286</td><td>0.381997973</td><td>0.04606746</td><td>0.844444454</td><td>304</td><td>0.7836719</td><td>c1d0193b-0442-41fe-aab0-fc2438624170</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff.aspx' target='_blank'>151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff</a></td><td>471f9ab0-1cf5-40d3-ba88-edc2458d3242</td></tr> <tr><td>49</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/754097ce-c7df-40cb-bec1-ba8b0fad83f8.aspx' target='_blank'>Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--3]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/539fe164-0ea9-4509-bf37-fc9bc8073646.aspx' target='_blank'>Glucose, 2-amino-2-deoxy- (5TMS) MP</a></td><td>1899.495</td><td>1.49494946</td><td>0.41416198</td><td>0.0457932577</td><td>0.86835444</td><td>343</td><td>0.810132265</td><td>754097ce-c7df-40cb-bec1-ba8b0fad83f8</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6.aspx' target='_blank'>2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6</a></td><td>539fe164-0ea9-4509-bf37-fc9bc8073646</td></tr> <tr><td>49</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/d943c34e-3a28-43a2-9cbc-a05ab6a7a506.aspx' target='_blank'>Allantoin (5TMS) [A188009-ambient-na-4]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/65bb54d2-6bf7-4a53-aa22-8abf71240005.aspx' target='_blank'>Allantoin (5TMS)</a></td><td>1896.99829</td><td>1.001709</td><td>0.456007272</td><td>0.0551366322</td><td>0.8933333</td><td>268</td><td>0.8647887</td><td>d943c34e-3a28-43a2-9cbc-a05ab6a7a506</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/a999f0d6-0285-41d9-a6ba-b705987b663c.aspx' target='_blank'>a999f0d6-0285-41d9-a6ba-b705987b663c</a></td><td>65bb54d2-6bf7-4a53-aa22-8abf71240005</td></tr> <tr><td>50</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>51</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/27d4dcdd-d351-4976-8ef9-76a0cc53f631.aspx' target='_blank'>Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/96441b61-2891-4e81-93dc-d0fc0ad175d4.aspx' target='_blank'>Glucose, U-13C- (1MEOX) (5TMS) BP</a></td><td>1901.63</td><td>3.63</td><td>0.123899154</td><td>0.04382828</td><td>0.8914729</td><td>115</td><td>0.859087646</td><td>27d4dcdd-d351-4976-8ef9-76a0cc53f631</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/441faccb-2631-4e7d-b6ca-99437265ccb8.aspx' target='_blank'>441faccb-2631-4e7d-b6ca-99437265ccb8</a></td><td>96441b61-2891-4e81-93dc-d0fc0ad175d4</td></tr> <tr><td>51</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/6754fc3e-ad28-4576-b723-60aa4fa0790b.aspx' target='_blank'>Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-3]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/163bf790-e995-46a9-8059-446172ddca0f.aspx' target='_blank'>Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP</a></td><td>1902.77417</td><td>4.77417</td><td>0.335227549</td><td>0.0710001141</td><td>0.864661634</td><td>115</td><td>0.820953369</td><td>6754fc3e-ad28-4576-b723-60aa4fa0790b</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/87e988c4-f26c-4e03-9a40-1b0c0b36ca67.aspx' target='_blank'>87e988c4-f26c-4e03-9a40-1b0c0b36ca67</a></td><td>163bf790-e995-46a9-8059-446172ddca0f</td></tr> <tr><td>52</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>53</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>54</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>55</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>56</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>57</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/ef78eeb1-ec7f-453d-90bd-cd1bf3b04153.aspx' target='_blank'>Galactose_3_5TMS [A190022-ambient-na-1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/17441428-6e9c-4caf-84d5-561b494df795.aspx' target='_blank'>Galactose_3_5TMS</a></td><td>1896.3114</td><td>1.68858171</td><td>0.3086605</td><td>0.0472080037</td><td>0.8050541</td><td>223</td><td>0.7846002</td><td>ef78eeb1-ec7f-453d-90bd-cd1bf3b04153</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/f01236e3-4d1e-493a-bd99-3aca2801f86e.aspx' target='_blank'>f01236e3-4d1e-493a-bd99-3aca2801f86e</a></td><td>17441428-6e9c-4caf-84d5-561b494df795</td></tr> <tr><td>57</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/34a5b91e-e473-4ed6-9a40-067e0cd944f9.aspx' target='_blank'>Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-2]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/0a2b3536-2245-4c0e-bdbc-495766eeec67.aspx' target='_blank'>Glucose (1MEOX) (5TMS) BP</a></td><td>1899.05493</td><td>1.054953</td><td>0.432055831</td><td>0.0723674</td><td>0.8242424</td><td>136</td><td>0.8337416</td><td>34a5b91e-e473-4ed6-9a40-067e0cd944f9</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/68513255-fc44-4041-bc4b-4fd2fae7541d.aspx' target='_blank'>68513255-fc44-4041-bc4b-4fd2fae7541d</a></td><td>0a2b3536-2245-4c0e-bdbc-495766eeec67</td></tr> <tr><td>57</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/9c570b75-fe0c-43b8-9311-7b8af17dd55b.aspx' target='_blank'>Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--8]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/1c3ad0aa-ee78-4542-93b3-aa9fdf07add1.aspx' target='_blank'>Galactose (1MEOX) (5TMS) BP</a></td><td>1902.42212</td><td>4.422119</td><td>0.440757215</td><td>0.0556150451</td><td>0.8245614</td><td>235</td><td>0.8042714</td><td>9c570b75-fe0c-43b8-9311-7b8af17dd55b</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/dd3ea070-54a6-4ea7-b99b-a6e975fdd204.aspx' target='_blank'>dd3ea070-54a6-4ea7-b99b-a6e975fdd204</a></td><td>1c3ad0aa-ee78-4542-93b3-aa9fdf07add1</td></tr> <tr><td>57</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/11e07008-ff9d-4d76-9b09-590beaa90f22.aspx' target='_blank'>Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--8]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/539fe164-0ea9-4509-bf37-fc9bc8073646.aspx' target='_blank'>Glucose, 2-amino-2-deoxy- (5TMS) MP</a></td><td>1899.495</td><td>1.49494946</td><td>0.482367963</td><td>0.0575781539</td><td>0.824742258</td><td>240</td><td>0.802868068</td><td>11e07008-ff9d-4d76-9b09-590beaa90f22</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6.aspx' target='_blank'>2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6</a></td><td>539fe164-0ea9-4509-bf37-fc9bc8073646</td></tr> <tr><td>57</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/d00de57d-6fab-49d0-9aee-25e259da9180.aspx' target='_blank'>Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/6f4e926f-d7ef-47b6-a52c-91ff88ca567a.aspx' target='_blank'>Idose (1MEOX) (5TMS) BP</a></td><td>1897.25439</td><td>0.745605469</td><td>0.494594038</td><td>0.07413156</td><td>0.8333333</td><td>150</td><td>0.839251935</td><td>d00de57d-6fab-49d0-9aee-25e259da9180</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/ab025068-f464-4bc6-9c92-994c29387db2.aspx' target='_blank'>ab025068-f464-4bc6-9c92-994c29387db2</a></td><td>6f4e926f-d7ef-47b6-a52c-91ff88ca567a</td></tr> <tr><td>58</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>59</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>60</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/3468acbd-3fed-489b-b93d-b3c9beab9f82.aspx' target='_blank'>Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-18]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/0a2b3536-2245-4c0e-bdbc-495766eeec67.aspx' target='_blank'>Glucose (1MEOX) (5TMS) BP</a></td><td>1899.05493</td><td>1.054953</td><td>0.17318368</td><td>0.06273749</td><td>0.852272749</td><td>75</td><td>0.8504949</td><td>3468acbd-3fed-489b-b93d-b3c9beab9f82</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/68513255-fc44-4041-bc4b-4fd2fae7541d.aspx' target='_blank'>68513255-fc44-4041-bc4b-4fd2fae7541d</a></td><td>0a2b3536-2245-4c0e-bdbc-495766eeec67</td></tr> <tr><td>60</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/6c360eba-d726-44d9-a666-d0695d8448cf.aspx' target='_blank'>Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-7]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/96441b61-2891-4e81-93dc-d0fc0ad175d4.aspx' target='_blank'>Glucose, U-13C- (1MEOX) (5TMS) BP</a></td><td>1901.63</td><td>3.63</td><td>0.175843075</td><td>0.0643232837</td><td>0.8235294</td><td>70</td><td>0.8236748</td><td>6c360eba-d726-44d9-a666-d0695d8448cf</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/441faccb-2631-4e7d-b6ca-99437265ccb8.aspx' target='_blank'>441faccb-2631-4e7d-b6ca-99437265ccb8</a></td><td>96441b61-2891-4e81-93dc-d0fc0ad175d4</td></tr> <tr><td>60</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/d00de57d-6fab-49d0-9aee-25e259da9180.aspx' target='_blank'>Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/6f4e926f-d7ef-47b6-a52c-91ff88ca567a.aspx' target='_blank'>Idose (1MEOX) (5TMS) BP</a></td><td>1897.25439</td><td>0.745605469</td><td>0.185437113</td><td>0.05092667</td><td>0.853146851</td><td>122</td><td>0.8227301</td><td>d00de57d-6fab-49d0-9aee-25e259da9180</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/ab025068-f464-4bc6-9c92-994c29387db2.aspx' target='_blank'>ab025068-f464-4bc6-9c92-994c29387db2</a></td><td>6f4e926f-d7ef-47b6-a52c-91ff88ca567a</td></tr> <tr><td>60</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/c1226b8e-944e-4d32-ae01-8a9d12465d34.aspx' target='_blank'>Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--9]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/1c3ad0aa-ee78-4542-93b3-aa9fdf07add1.aspx' target='_blank'>Galactose (1MEOX) (5TMS) BP</a></td><td>1902.42212</td><td>4.422119</td><td>0.185893178</td><td>0.0448291861</td><td>0.854054034</td><td>158</td><td>0.802647948</td><td>c1226b8e-944e-4d32-ae01-8a9d12465d34</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/dd3ea070-54a6-4ea7-b99b-a6e975fdd204.aspx' target='_blank'>dd3ea070-54a6-4ea7-b99b-a6e975fdd204</a></td><td>1c3ad0aa-ee78-4542-93b3-aa9fdf07add1</td></tr> <tr><td>60</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/817f2a03-9df5-46e3-973c-b2a9675109cf.aspx' target='_blank'>Allantoin (5TMS) [A188009-ambient-na-5]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/65bb54d2-6bf7-4a53-aa22-8abf71240005.aspx' target='_blank'>Allantoin (5TMS)</a></td><td>1896.99829</td><td>1.001709</td><td>0.2467115</td><td>0.0623315349</td><td>0.8976378</td><td>114</td><td>0.88253355</td><td>817f2a03-9df5-46e3-973c-b2a9675109cf</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/a999f0d6-0285-41d9-a6ba-b705987b663c.aspx' target='_blank'>a999f0d6-0285-41d9-a6ba-b705987b663c</a></td><td>65bb54d2-6bf7-4a53-aa22-8abf71240005</td></tr> <tr><td>60</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/8bbd7202-8794-4486-8b16-61d8dff4c5bd.aspx' target='_blank'>Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-9]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/163bf790-e995-46a9-8059-446172ddca0f.aspx' target='_blank'>Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP</a></td><td>1902.77417</td><td>4.77417</td><td>0.2950538</td><td>0.04510935</td><td>0.8965517</td><td>260</td><td>0.8291562</td><td>8bbd7202-8794-4486-8b16-61d8dff4c5bd</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/87e988c4-f26c-4e03-9a40-1b0c0b36ca67.aspx' target='_blank'>87e988c4-f26c-4e03-9a40-1b0c0b36ca67</a></td><td>163bf790-e995-46a9-8059-446172ddca0f</td></tr> <tr><td>60</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/4c89b294-311e-4e11-8af3-8e80b969109f.aspx' target='_blank'>Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--2]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/539fe164-0ea9-4509-bf37-fc9bc8073646.aspx' target='_blank'>Glucose, 2-amino-2-deoxy- (5TMS) MP</a></td><td>1899.495</td><td>1.49494946</td><td>0.365909427</td><td>0.052255787</td><td>0.8955224</td><td>240</td><td>0.833884954</td><td>4c89b294-311e-4e11-8af3-8e80b969109f</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6.aspx' target='_blank'>2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6</a></td><td>539fe164-0ea9-4509-bf37-fc9bc8073646</td></tr> <tr><td>61</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>62</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>63</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>64</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>65</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>66</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>67</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>68</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>69</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>70</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>71</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>72</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>73</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>74</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>75</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>76</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/2e42e393-8070-47b8-a933-d3c41043d785.aspx' target='_blank'>Hexadecenoic acid methyl ester, 9-(Z)-, n- [A190014-ambient-n--3]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/75683e89-302c-4280-a15e-e1187cd75ceb.aspx' target='_blank'>Hexadecenoic acid methyl ester, 9-(Z)-, n-</a></td><td>1897.67859</td><td>0.321411133</td><td>0.4841707</td><td>0.070833</td><td>0.834196866</td><td>161</td><td>0.787648559</td><td>2e42e393-8070-47b8-a933-d3c41043d785</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/75683e89-302c-4280-a15e-e1187cd75ceb.aspx' target='_blank'>75683e89-302c-4280-a15e-e1187cd75ceb</a></td><td>75683e89-302c-4280-a15e-e1187cd75ceb</td></tr> <tr><td>77</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/3468acbd-3fed-489b-b93d-b3c9beab9f82.aspx' target='_blank'>Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-18]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/0a2b3536-2245-4c0e-bdbc-495766eeec67.aspx' target='_blank'>Glucose (1MEOX) (5TMS) BP</a></td><td>1899.05493</td><td>1.054953</td><td>0.2844056</td><td>0.07994458</td><td>0.8876405</td><td>79</td><td>0.883293</td><td>3468acbd-3fed-489b-b93d-b3c9beab9f82</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/68513255-fc44-4041-bc4b-4fd2fae7541d.aspx' target='_blank'>68513255-fc44-4041-bc4b-4fd2fae7541d</a></td><td>0a2b3536-2245-4c0e-bdbc-495766eeec67</td></tr> <tr><td>78</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>79</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>80</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>81</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>82</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>83</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>84</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>85</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>86</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>87</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>88</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>89</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>90</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>91</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>92</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>93</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>94</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>95</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>96</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/44b956d8-a487-4269-baee-49e6ba5658c3.aspx' target='_blank'>Nonadecane [A190001-ambient-n--1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/5dff1f48-853a-4ce2-852c-81c871ef1da6.aspx' target='_blank'>Nonadecane</a></td><td>1900</td><td>2</td><td>0.08678086</td><td>0.0508967042</td><td>0.477611929</td><td>32</td><td>0.5542277</td><td>44b956d8-a487-4269-baee-49e6ba5658c3</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/5dff1f48-853a-4ce2-852c-81c871ef1da6.aspx' target='_blank'>5dff1f48-853a-4ce2-852c-81c871ef1da6</a></td><td>5dff1f48-853a-4ce2-852c-81c871ef1da6</td></tr> <tr><td>97</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>98</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>99</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>100</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>101</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>102</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>103</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>104</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>105</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>106</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/44b956d8-a487-4269-baee-49e6ba5658c3.aspx' target='_blank'>Nonadecane [A190001-ambient-n--1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/5dff1f48-853a-4ce2-852c-81c871ef1da6.aspx' target='_blank'>Nonadecane</a></td><td>1900</td><td>2</td><td>0.08444913</td><td>0.0502082668</td><td>0.477611929</td><td>32</td><td>0.5542277</td><td>44b956d8-a487-4269-baee-49e6ba5658c3</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/5dff1f48-853a-4ce2-852c-81c871ef1da6.aspx' target='_blank'>5dff1f48-853a-4ce2-852c-81c871ef1da6</a></td><td>5dff1f48-853a-4ce2-852c-81c871ef1da6</td></tr> <tr><td>107</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/44b956d8-a487-4269-baee-49e6ba5658c3.aspx' target='_blank'>Nonadecane [A190001-ambient-n--1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/5dff1f48-853a-4ce2-852c-81c871ef1da6.aspx' target='_blank'>Nonadecane</a></td><td>1900</td><td>2</td><td>0.09447143</td><td>0.0523287952</td><td>0.5072464</td><td>35</td><td>0.5783457</td><td>44b956d8-a487-4269-baee-49e6ba5658c3</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/5dff1f48-853a-4ce2-852c-81c871ef1da6.aspx' target='_blank'>5dff1f48-853a-4ce2-852c-81c871ef1da6</a></td><td>5dff1f48-853a-4ce2-852c-81c871ef1da6</td></tr> <tr><td>108</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>109</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>110</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>111</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>112</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/44b956d8-a487-4269-baee-49e6ba5658c3.aspx' target='_blank'>Nonadecane [A190001-ambient-n--1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/5dff1f48-853a-4ce2-852c-81c871ef1da6.aspx' target='_blank'>Nonadecane</a></td><td>1900</td><td>2</td><td>0.0940891653</td><td>0.0529965349</td><td>0.522388041</td><td>35</td><td>0.5863345</td><td>44b956d8-a487-4269-baee-49e6ba5658c3</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/5dff1f48-853a-4ce2-852c-81c871ef1da6.aspx' target='_blank'>5dff1f48-853a-4ce2-852c-81c871ef1da6</a></td><td>5dff1f48-853a-4ce2-852c-81c871ef1da6</td></tr> <tr><td>113</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>114</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>115</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>116</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>117</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>118</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>119</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>120</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/44b956d8-a487-4269-baee-49e6ba5658c3.aspx' target='_blank'>Nonadecane [A190001-ambient-n--1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/5dff1f48-853a-4ce2-852c-81c871ef1da6.aspx' target='_blank'>Nonadecane</a></td><td>1900</td><td>2</td><td>0.092078425</td><td>0.05282288</td><td>0.545454562</td><td>36</td><td>0.6008149</td><td>44b956d8-a487-4269-baee-49e6ba5658c3</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/5dff1f48-853a-4ce2-852c-81c871ef1da6.aspx' target='_blank'>5dff1f48-853a-4ce2-852c-81c871ef1da6</a></td><td>5dff1f48-853a-4ce2-852c-81c871ef1da6</td></tr> <tr><td>121</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>122</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>123</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>124</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/44b956d8-a487-4269-baee-49e6ba5658c3.aspx' target='_blank'>Nonadecane [A190001-ambient-n--1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/5dff1f48-853a-4ce2-852c-81c871ef1da6.aspx' target='_blank'>Nonadecane</a></td><td>1900</td><td>2</td><td>0.07481606</td><td>0.05036009</td><td>0.5423729</td><td>32</td><td>0.5744617</td><td>44b956d8-a487-4269-baee-49e6ba5658c3</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/5dff1f48-853a-4ce2-852c-81c871ef1da6.aspx' target='_blank'>5dff1f48-853a-4ce2-852c-81c871ef1da6</a></td><td>5dff1f48-853a-4ce2-852c-81c871ef1da6</td></tr> <tr><td>125</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>126</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/44b956d8-a487-4269-baee-49e6ba5658c3.aspx' target='_blank'>Nonadecane [A190001-ambient-n--1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/5dff1f48-853a-4ce2-852c-81c871ef1da6.aspx' target='_blank'>Nonadecane</a></td><td>1900</td><td>2</td><td>0.09435291</td><td>0.05307076</td><td>0.5671642</td><td>38</td><td>0.6182873</td><td>44b956d8-a487-4269-baee-49e6ba5658c3</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/5dff1f48-853a-4ce2-852c-81c871ef1da6.aspx' target='_blank'>5dff1f48-853a-4ce2-852c-81c871ef1da6</a></td><td>5dff1f48-853a-4ce2-852c-81c871ef1da6</td></tr> <tr><td>127</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>128</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>129</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>130</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>131</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>132</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>133</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>134</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>135</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>136</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/44b956d8-a487-4269-baee-49e6ba5658c3.aspx' target='_blank'>Nonadecane [A190001-ambient-n--1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/5dff1f48-853a-4ce2-852c-81c871ef1da6.aspx' target='_blank'>Nonadecane</a></td><td>1900</td><td>2</td><td>0.07581174</td><td>0.050269857</td><td>0.6</td><td>36</td><td>0.618036032</td><td>44b956d8-a487-4269-baee-49e6ba5658c3</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/5dff1f48-853a-4ce2-852c-81c871ef1da6.aspx' target='_blank'>5dff1f48-853a-4ce2-852c-81c871ef1da6</a></td><td>5dff1f48-853a-4ce2-852c-81c871ef1da6</td></tr> <tr><td>137</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>138</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>139</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>140</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>141</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>142</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/44b956d8-a487-4269-baee-49e6ba5658c3.aspx' target='_blank'>Nonadecane [A190001-ambient-n--1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/5dff1f48-853a-4ce2-852c-81c871ef1da6.aspx' target='_blank'>Nonadecane</a></td><td>1900</td><td>2</td><td>0.0759908259</td><td>0.0507539362</td><td>0.6101695</td><td>36</td><td>0.6193023</td><td>44b956d8-a487-4269-baee-49e6ba5658c3</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/5dff1f48-853a-4ce2-852c-81c871ef1da6.aspx' target='_blank'>5dff1f48-853a-4ce2-852c-81c871ef1da6</a></td><td>5dff1f48-853a-4ce2-852c-81c871ef1da6</td></tr> <tr><td>143</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>144</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>145</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>146</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>147</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>148</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>149</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/44b956d8-a487-4269-baee-49e6ba5658c3.aspx' target='_blank'>Nonadecane [A190001-ambient-n--1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/5dff1f48-853a-4ce2-852c-81c871ef1da6.aspx' target='_blank'>Nonadecane</a></td><td>1900</td><td>2</td><td>0.06280607</td><td>0.0465373769</td><td>0.827586234</td><td>48</td><td>0.7647042</td><td>44b956d8-a487-4269-baee-49e6ba5658c3</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/5dff1f48-853a-4ce2-852c-81c871ef1da6.aspx' target='_blank'>5dff1f48-853a-4ce2-852c-81c871ef1da6</a></td><td>5dff1f48-853a-4ce2-852c-81c871ef1da6</td></tr> <tr><td>150</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>151</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>152</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>153</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>154</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>155</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>156</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>157</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>158</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>159</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>160</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>161</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>162</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>163</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>164</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>165</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>166</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>167</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>168</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>169</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/44b956d8-a487-4269-baee-49e6ba5658c3.aspx' target='_blank'>Nonadecane [A190001-ambient-n--1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/5dff1f48-853a-4ce2-852c-81c871ef1da6.aspx' target='_blank'>Nonadecane</a></td><td>1900</td><td>2</td><td>0.110666931</td><td>0.0607363</td><td>0.9</td><td>54</td><td>0.8493862</td><td>44b956d8-a487-4269-baee-49e6ba5658c3</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/5dff1f48-853a-4ce2-852c-81c871ef1da6.aspx' target='_blank'>5dff1f48-853a-4ce2-852c-81c871ef1da6</a></td><td>5dff1f48-853a-4ce2-852c-81c871ef1da6</td></tr> <tr><td>170</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>171</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/44b956d8-a487-4269-baee-49e6ba5658c3.aspx' target='_blank'>Nonadecane [A190001-ambient-n--1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/5dff1f48-853a-4ce2-852c-81c871ef1da6.aspx' target='_blank'>Nonadecane</a></td><td>1900</td><td>2</td><td>0.126968026</td><td>0.06616803</td><td>0.8965517</td><td>52</td><td>0.8236299</td><td>44b956d8-a487-4269-baee-49e6ba5658c3</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/5dff1f48-853a-4ce2-852c-81c871ef1da6.aspx' target='_blank'>5dff1f48-853a-4ce2-852c-81c871ef1da6</a></td><td>5dff1f48-853a-4ce2-852c-81c871ef1da6</td></tr> <tr><td>172</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>173</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>174</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>175</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>176</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>177</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>178</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>179</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>180</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>181</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>182</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>183</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>184</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>185</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>186</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>187</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>188</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>189</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>190</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>191</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>192</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>193</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>194</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>195</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>196</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>197</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>198</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>199</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>200</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>201</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>202</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>203</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>204</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>205</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>206</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>207</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>208</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>209</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>210</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>211</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>212</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>213</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>214</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>215</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/d87f501a-9d45-4244-9461-f8dd1943930e.aspx' target='_blank'>Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-24]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/0a2b3536-2245-4c0e-bdbc-495766eeec67.aspx' target='_blank'>Glucose (1MEOX) (5TMS) BP</a></td><td>1899.05493</td><td>1.054953</td><td>0.111725941</td><td>0.04333297</td><td>0.689075649</td><td>82</td><td>0.72035563</td><td>d87f501a-9d45-4244-9461-f8dd1943930e</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/68513255-fc44-4041-bc4b-4fd2fae7541d.aspx' target='_blank'>68513255-fc44-4041-bc4b-4fd2fae7541d</a></td><td>0a2b3536-2245-4c0e-bdbc-495766eeec67</td></tr> <tr><td>215</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/5a6e8d9a-926f-4589-a67c-46ff9b93f7ca.aspx' target='_blank'>Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--3]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/1c3ad0aa-ee78-4542-93b3-aa9fdf07add1.aspx' target='_blank'>Galactose (1MEOX) (5TMS) BP</a></td><td>1902.42212</td><td>4.422119</td><td>0.121540077</td><td>0.0373766236</td><td>0.6436782</td><td>112</td><td>0.678422451</td><td>5a6e8d9a-926f-4589-a67c-46ff9b93f7ca</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/dd3ea070-54a6-4ea7-b99b-a6e975fdd204.aspx' target='_blank'>dd3ea070-54a6-4ea7-b99b-a6e975fdd204</a></td><td>1c3ad0aa-ee78-4542-93b3-aa9fdf07add1</td></tr> <tr><td>215</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/d00de57d-6fab-49d0-9aee-25e259da9180.aspx' target='_blank'>Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/6f4e926f-d7ef-47b6-a52c-91ff88ca567a.aspx' target='_blank'>Idose (1MEOX) (5TMS) BP</a></td><td>1897.25439</td><td>0.745605469</td><td>0.12473502</td><td>0.03924205</td><td>0.6234568</td><td>101</td><td>0.6659031</td><td>d00de57d-6fab-49d0-9aee-25e259da9180</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/ab025068-f464-4bc6-9c92-994c29387db2.aspx' target='_blank'>ab025068-f464-4bc6-9c92-994c29387db2</a></td><td>6f4e926f-d7ef-47b6-a52c-91ff88ca567a</td></tr> <tr><td>215</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/2b364030-9fa7-4066-b685-52d7946110a6.aspx' target='_blank'>Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/da9d76f5-a2af-4fd1-89e1-c8426ad16980.aspx' target='_blank'>Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP</a></td><td>1893.44385</td><td>4.55619574</td><td>0.1716096</td><td>0.0389701054</td><td>0.654867232</td><td>148</td><td>0.663134336</td><td>2b364030-9fa7-4066-b685-52d7946110a6</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/00ce759f-d1f9-492e-89f7-b7400a34c72d.aspx' target='_blank'>00ce759f-d1f9-492e-89f7-b7400a34c72d</a></td><td>da9d76f5-a2af-4fd1-89e1-c8426ad16980</td></tr> <tr><td>215</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/063fa226-ed62-4d9f-9d5c-ee52c0974e55.aspx' target='_blank'>Allantoin (5TMS) [A188009-ambient-na-6]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/65bb54d2-6bf7-4a53-aa22-8abf71240005.aspx' target='_blank'>Allantoin (5TMS)</a></td><td>1896.99829</td><td>1.001709</td><td>0.201827526</td><td>0.04762064</td><td>0.7247191</td><td>129</td><td>0.7480244</td><td>063fa226-ed62-4d9f-9d5c-ee52c0974e55</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/a999f0d6-0285-41d9-a6ba-b705987b663c.aspx' target='_blank'>a999f0d6-0285-41d9-a6ba-b705987b663c</a></td><td>65bb54d2-6bf7-4a53-aa22-8abf71240005</td></tr> <tr><td>215</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/27d4dcdd-d351-4976-8ef9-76a0cc53f631.aspx' target='_blank'>Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/96441b61-2891-4e81-93dc-d0fc0ad175d4.aspx' target='_blank'>Glucose, U-13C- (1MEOX) (5TMS) BP</a></td><td>1901.63</td><td>3.63</td><td>0.203410134</td><td>0.0493563563</td><td>0.742514968</td><td>124</td><td>0.76602006</td><td>27d4dcdd-d351-4976-8ef9-76a0cc53f631</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/441faccb-2631-4e7d-b6ca-99437265ccb8.aspx' target='_blank'>441faccb-2631-4e7d-b6ca-99437265ccb8</a></td><td>96441b61-2891-4e81-93dc-d0fc0ad175d4</td></tr> <tr><td>215</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/85927200-53a4-492a-ad57-0a7b1d8a6e85.aspx' target='_blank'>Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/2665f816-5c52-45ed-901e-4481cf048257.aspx' target='_blank'>Erythrose-4-phosphate (1MEOX) (4TMS) MP</a></td><td>1895.98438</td><td>2.01558065</td><td>0.21932818</td><td>0.0323174857</td><td>0.7952381</td><td>334</td><td>0.7466316</td><td>85927200-53a4-492a-ad57-0a7b1d8a6e85</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/d4f07f67-d45b-43b6-bd4c-d08708d1a7ad.aspx' target='_blank'>d4f07f67-d45b-43b6-bd4c-d08708d1a7ad</a></td><td>2665f816-5c52-45ed-901e-4481cf048257</td></tr> <tr><td>216</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>217</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>218</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>219</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>220</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>221</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>222</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>223</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>224</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>225</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>226</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/8d439b60-424f-46f7-b996-c0c2114f797e.aspx' target='_blank'>Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-20]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/0a2b3536-2245-4c0e-bdbc-495766eeec67.aspx' target='_blank'>Glucose (1MEOX) (5TMS) BP</a></td><td>1899.05493</td><td>1.054953</td><td>0.186731711</td><td>0.04020852</td><td>0.5974026</td><td>138</td><td>0.6166982</td><td>8d439b60-424f-46f7-b996-c0c2114f797e</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/68513255-fc44-4041-bc4b-4fd2fae7541d.aspx' target='_blank'>68513255-fc44-4041-bc4b-4fd2fae7541d</a></td><td>0a2b3536-2245-4c0e-bdbc-495766eeec67</td></tr> <tr><td>226</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/39e48209-b3a4-41cf-b83d-78d92a054d12.aspx' target='_blank'>Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--7]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/1c3ad0aa-ee78-4542-93b3-aa9fdf07add1.aspx' target='_blank'>Galactose (1MEOX) (5TMS) BP</a></td><td>1902.42212</td><td>4.422119</td><td>0.232166454</td><td>0.0416243374</td><td>0.4067164</td><td>109</td><td>0.504510641</td><td>39e48209-b3a4-41cf-b83d-78d92a054d12</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/dd3ea070-54a6-4ea7-b99b-a6e975fdd204.aspx' target='_blank'>dd3ea070-54a6-4ea7-b99b-a6e975fdd204</a></td><td>1c3ad0aa-ee78-4542-93b3-aa9fdf07add1</td></tr> <tr><td>226</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/c1f0e928-1960-4643-b93b-81a20351ccd9.aspx' target='_blank'>Idose (1MEOX) (5TMS) BP [A191005-ambient-na-2]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/6f4e926f-d7ef-47b6-a52c-91ff88ca567a.aspx' target='_blank'>Idose (1MEOX) (5TMS) BP</a></td><td>1897.25439</td><td>0.745605469</td><td>0.2555795</td><td>0.04512749</td><td>0.334661365</td><td>84</td><td>0.446271449</td><td>c1f0e928-1960-4643-b93b-81a20351ccd9</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/ab025068-f464-4bc6-9c92-994c29387db2.aspx' target='_blank'>ab025068-f464-4bc6-9c92-994c29387db2</a></td><td>6f4e926f-d7ef-47b6-a52c-91ff88ca567a</td></tr> <tr><td>226</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/8bf796f1-f7cf-4df5-afbc-979b0d95a383.aspx' target='_blank'>Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/da9d76f5-a2af-4fd1-89e1-c8426ad16980.aspx' target='_blank'>Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP</a></td><td>1893.44385</td><td>4.55619574</td><td>0.29649204</td><td>0.0328352377</td><td>0.6</td><td>330</td><td>0.608352542</td><td>8bf796f1-f7cf-4df5-afbc-979b0d95a383</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/00ce759f-d1f9-492e-89f7-b7400a34c72d.aspx' target='_blank'>00ce759f-d1f9-492e-89f7-b7400a34c72d</a></td><td>da9d76f5-a2af-4fd1-89e1-c8426ad16980</td></tr> <tr><td>226</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/ef78eeb1-ec7f-453d-90bd-cd1bf3b04153.aspx' target='_blank'>Galactose_3_5TMS [A190022-ambient-na-1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/17441428-6e9c-4caf-84d5-561b494df795.aspx' target='_blank'>Galactose_3_5TMS</a></td><td>1896.3114</td><td>1.68858171</td><td>0.363172352</td><td>0.0492873862</td><td>0.408026755</td><td>122</td><td>0.504798055</td><td>ef78eeb1-ec7f-453d-90bd-cd1bf3b04153</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/f01236e3-4d1e-493a-bd99-3aca2801f86e.aspx' target='_blank'>f01236e3-4d1e-493a-bd99-3aca2801f86e</a></td><td>17441428-6e9c-4caf-84d5-561b494df795</td></tr> <tr><td>226</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/11e07008-ff9d-4d76-9b09-590beaa90f22.aspx' target='_blank'>Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--8]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/539fe164-0ea9-4509-bf37-fc9bc8073646.aspx' target='_blank'>Glucose, 2-amino-2-deoxy- (5TMS) MP</a></td><td>1899.495</td><td>1.49494946</td><td>0.400953531</td><td>0.05295159</td><td>0.2972028</td><td>85</td><td>0.414242685</td><td>11e07008-ff9d-4d76-9b09-590beaa90f22</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6.aspx' target='_blank'>2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6</a></td><td>539fe164-0ea9-4509-bf37-fc9bc8073646</td></tr> <tr><td>226</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/6c360eba-d726-44d9-a666-d0695d8448cf.aspx' target='_blank'>Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-7]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/96441b61-2891-4e81-93dc-d0fc0ad175d4.aspx' target='_blank'>Glucose, U-13C- (1MEOX) (5TMS) BP</a></td><td>1901.63</td><td>3.63</td><td>0.453271121</td><td>0.0621097945</td><td>0.7617021</td><td>179</td><td>0.738404453</td><td>6c360eba-d726-44d9-a666-d0695d8448cf</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/441faccb-2631-4e7d-b6ca-99437265ccb8.aspx' target='_blank'>441faccb-2631-4e7d-b6ca-99437265ccb8</a></td><td>96441b61-2891-4e81-93dc-d0fc0ad175d4</td></tr> <tr><td>226</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/1b34c722-1fd3-4d61-a48b-da2614f96e23.aspx' target='_blank'>Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-5]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/2665f816-5c52-45ed-901e-4481cf048257.aspx' target='_blank'>Erythrose-4-phosphate (1MEOX) (4TMS) MP</a></td><td>1895.98438</td><td>2.01558065</td><td>0.483825535</td><td>0.0507976674</td><td>0.461333334</td><td>173</td><td>0.5301436</td><td>1b34c722-1fd3-4d61-a48b-da2614f96e23</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/d4f07f67-d45b-43b6-bd4c-d08708d1a7ad.aspx' target='_blank'>d4f07f67-d45b-43b6-bd4c-d08708d1a7ad</a></td><td>2665f816-5c52-45ed-901e-4481cf048257</td></tr> <tr><td>227</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>228</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/8bf796f1-f7cf-4df5-afbc-979b0d95a383.aspx' target='_blank'>Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/da9d76f5-a2af-4fd1-89e1-c8426ad16980.aspx' target='_blank'>Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP</a></td><td>1893.44385</td><td>4.55619574</td><td>0.49236843</td><td>0.0423520021</td><td>0.5974499</td><td>328</td><td>0.6059947</td><td>8bf796f1-f7cf-4df5-afbc-979b0d95a383</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/00ce759f-d1f9-492e-89f7-b7400a34c72d.aspx' target='_blank'>00ce759f-d1f9-492e-89f7-b7400a34c72d</a></td><td>da9d76f5-a2af-4fd1-89e1-c8426ad16980</td></tr> <tr><td>229</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>230</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>231</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/d87f501a-9d45-4244-9461-f8dd1943930e.aspx' target='_blank'>Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-24]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/0a2b3536-2245-4c0e-bdbc-495766eeec67.aspx' target='_blank'>Glucose (1MEOX) (5TMS) BP</a></td><td>1899.05493</td><td>1.054953</td><td>0.191139191</td><td>0.0709223449</td><td>0.8947368</td><td>68</td><td>0.878837764</td><td>d87f501a-9d45-4244-9461-f8dd1943930e</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/68513255-fc44-4041-bc4b-4fd2fae7541d.aspx' target='_blank'>68513255-fc44-4041-bc4b-4fd2fae7541d</a></td><td>0a2b3536-2245-4c0e-bdbc-495766eeec67</td></tr> <tr><td>231</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/27d4dcdd-d351-4976-8ef9-76a0cc53f631.aspx' target='_blank'>Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/96441b61-2891-4e81-93dc-d0fc0ad175d4.aspx' target='_blank'>Glucose, U-13C- (1MEOX) (5TMS) BP</a></td><td>1901.63</td><td>3.63</td><td>0.193600208</td><td>0.0558800921</td><td>0.887096763</td><td>110</td><td>0.8399839</td><td>27d4dcdd-d351-4976-8ef9-76a0cc53f631</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/441faccb-2631-4e7d-b6ca-99437265ccb8.aspx' target='_blank'>441faccb-2631-4e7d-b6ca-99437265ccb8</a></td><td>96441b61-2891-4e81-93dc-d0fc0ad175d4</td></tr> <tr><td>231</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/314b38dc-9bfb-4a7f-aaaa-bd80ef4ec82d.aspx' target='_blank'>Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--10]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/1c3ad0aa-ee78-4542-93b3-aa9fdf07add1.aspx' target='_blank'>Galactose (1MEOX) (5TMS) BP</a></td><td>1902.42212</td><td>4.422119</td><td>0.216909975</td><td>0.06141944</td><td>0.8869565</td><td>102</td><td>0.845184863</td><td>314b38dc-9bfb-4a7f-aaaa-bd80ef4ec82d</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/dd3ea070-54a6-4ea7-b99b-a6e975fdd204.aspx' target='_blank'>dd3ea070-54a6-4ea7-b99b-a6e975fdd204</a></td><td>1c3ad0aa-ee78-4542-93b3-aa9fdf07add1</td></tr> <tr><td>231</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/bb9eafcc-28ff-4a63-8786-2e5e1053b337.aspx' target='_blank'>Allantoin (5TMS) [A188009-ambient-na-2]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/65bb54d2-6bf7-4a53-aa22-8abf71240005.aspx' target='_blank'>Allantoin (5TMS)</a></td><td>1896.99829</td><td>1.001709</td><td>0.242943108</td><td>0.08852613</td><td>0.887096763</td><td>55</td><td>0.8791416</td><td>bb9eafcc-28ff-4a63-8786-2e5e1053b337</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/a999f0d6-0285-41d9-a6ba-b705987b663c.aspx' target='_blank'>a999f0d6-0285-41d9-a6ba-b705987b663c</a></td><td>65bb54d2-6bf7-4a53-aa22-8abf71240005</td></tr> <tr><td>232</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>233</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>234</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>235</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>236</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>237</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>238</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>239</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>240</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>241</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>242</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>243</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>244</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>245</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>246</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>247</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>248</td><td><a href='http://gmd.mpimp-golm.mpg.de/Spectrums/44b956d8-a487-4269-baee-49e6ba5658c3.aspx' target='_blank'>Nonadecane [A190001-ambient-n--1]</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/Analytes/5dff1f48-853a-4ce2-852c-81c871ef1da6.aspx' target='_blank'>Nonadecane</a></td><td>1900</td><td>2</td><td>0.05944854</td><td>0.04527639</td><td>0.7586207</td><td>44</td><td>0.7132295</td><td>44b956d8-a487-4269-baee-49e6ba5658c3</td><td><a href='http://gmd.mpimp-golm.mpg.de/Metabolites/5dff1f48-853a-4ce2-852c-81c871ef1da6.aspx' target='_blank'>5dff1f48-853a-4ce2-852c-81c871ef1da6</a></td><td>5dff1f48-853a-4ce2-852c-81c871ef1da6</td></tr> <tr><td>249</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>250</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>251</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>252</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>253</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>254</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>255</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>256</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>257</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>258</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>259</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>260</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>261</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>262</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>263</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>264</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>265</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>266</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>267</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>268</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>269</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>270</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>271</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>272</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>273</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> <tr><td>274</td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'>no results</a></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td></td><td><a href='http://gmd.mpimp-golm.mpg.de/' target='_blank'></a></td><td></td></tr> </tbody></table></div><div class='mdl-tooltip mdl-tooltip--bottom' for='mytooltip1'> print</div><div class='mdl-tooltip mdl-tooltip--bottom' for='mytooltip2'> copy</div><div class='mdl-tooltip mdl-tooltip--bottom' for='mytooltip3'> export</div> </section> <section class='mdl-layout__tab-panel' id='fixed-tab-2'><div class='page-content'><center> </br></br><div class='card-wide mdl-card mdl-shadow--3dp'> <figure class='mdl-card__media' style='background-color: white'> <img src='http://m.hiapphere.com/data/icon/201506/HiAppHere_com_com.javiersantos.materialid.png' style='height: 60px; width: 60px;'> </figure><div class='mdl-card__title'><h1 class='mdl-card__title-text'>What can the table do ?</h1></div><div class='mdl-card__supporting-text'><ul class='list-icon mdl-list'><li class='mdl-list__item'> <span class='mdl-list__item-primary-content'> <i class='material-icons mdl-list__item-icon'>filter_list</i> By default, the spectra numbers (N° Spectra) are ordered by ascending values. You can manage your data ordering as you wish. You can even order data according to multiple columns: SHIFT + LEFT CLICK on column headers. This will order by the first column clicked, then the second, etc. You can sort data specifically by clicking on any entry in boxes under each columns. </span></li><li class='mdl-list__item'> <span class='mdl-list__item-primary-content'> <i class='material-icons mdl-list__item-icon'>delete_sweep</i> You can delete multiple entries that are selected: Select wanted entries and click on the button DELETE SELECTED ROWS. </span></li><li class='mdl-list__item'> <span class='mdl-list__item-primary-content'> <i class='material-icons mdl-list__item-icon'>remove_red_eye</i> You have the possibility to toggle columns by clicking on SHOW MORE. </span></li><li class='mdl-list__item'> <span class='mdl-list__item-primary-content'> <i class='material-icons mdl-list__item-icon'>save</i> You can print, copy, or export to excel and csv the table on its actual state, with the three buttons right above the table. </span></li></ul></div></div> </br><div id="large_card" class='card-wide mdl-card mdl-shadow--3dp'> <figure class='mdl-card__media' style='background-color: white'> <img src='http://image005.flaticon.com/1/svg/125/125279.svg' style='height: 60px; width: 60px;'> </figure><div class='mdl-card__title'><h1 class='mdl-card__title-text'>Distances scores</h1></div><div class='mdl-card__supporting-text'><table id="dist_table" style="color: rgba(0,0,0,.87);"><tr><td style="padding-right:10px;><b style="white-space: nowrap;"><b>S12Gower-Legendre Distance</b></td><td> The distance measure S12GowLeg = sqrt(1 - s12) is derived from the S12 coefficient of Gower & Legendre defined as s12 = a / sqrt((a + b)(a + c)), with "a" representing the number of positions at which both spectra are in "on-state" and "b" respectively "c" representing the number of positions at which only the query spectrum or the hit spectrum are in "on-state".</td></tr><tr><td style="padding-right:10px;"><b style="white-space: nowrap;">Hamming Distance</b></td><td> In information theory, the Hamming distance between two strings of equal length is the number of positions for which the corresponding symbols are different. Put another way, it measures the minimum number of substitutions required to change one into the other, or the number of errors that transformed one string into the other.</td></tr><tr><td style="padding-right:10px;"><b style="white-space: nowrap;">Jaccard Distance</b></td><td>Number of matches (a mass with appropriate intensity in both spectra) divided by the sum of matches and mismatches (a mass where only one of both spectra has a intensity). The jaccard distance is a binary distance.</td></tr><tr><td style="padding-right:10px;"><b style="white-space: nowrap;padding-right:60px;">Dotproduct Distance</b></td><td>The Dotproduct distance is summing the multiplied intensities over all matching peaks within both spectra. Here, to satisfy the conditions of a metric I) non-negativity, II) identity of indiscernibles, III) symmetry and IV) subadditivity / triangle inequality, we use 1-Dotproduct. Both spectra are normalised prior to the spectral vector norm in that way, that the absolute value of the squared intensities is equal to 1.</td></tr><tr><td style="padding-right:10px;"><b style="white-space: nowrap;padding-right:60px;">Euclidean Distance</b></td><td>The Euclid is the square root of the sum of the squared differences over all matching peaks.</td></tr></table></div></div></div> </br></br></center> </section> </main></div></body></html>
+
+
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+++ b/test-data/output03.tabular	Mon Dec 05 08:32:04 2016 -0500
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+"Num Spectre"	"Analyte Name"	"Spectrum Name"	"Retention Index"	"RI Discrepancy"	"DotproductDistance"	"EuclideanDistance"	"JaccardDistance"	"HammingDistance"	"s12GowerLegendreDistance"	"Spectrum ID"	"Metabolite ID"	"Analyte ID"
+"1"	"Erythrose-4-phosphate (1MEOX) (4TMS) MP"	"Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-5]"	"1895.98438"	"2.01558065"	"0.417125851"	"0.047484044"	"0.6108108"	"226"	"0.628439844"	"1b34c722-1fd3-4d61-a48b-da2614f96e23"	"d4f07f67-d45b-43b6-bd4c-d08708d1a7ad"	"2665f816-5c52-45ed-901e-4481cf048257"
+"2"	"Glucose (1MEOX) (5TMS) BP"	"Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-2]"	"1899.05493"	"1.054953"	"0.4496568"	"0.07338332"	"0.7784431"	"130"	"0.796108663"	"34a5b91e-e473-4ed6-9a40-067e0cd944f9"	"68513255-fc44-4041-bc4b-4fd2fae7541d"	"0a2b3536-2245-4c0e-bdbc-495766eeec67"
+"2"	"Galactose (1MEOX) (5TMS) BP"	"Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--8]"	"1902.42212"	"4.422119"	"0.4884424"	"0.0594931729"	"0.75"	"207"	"0.7356502"	"9c570b75-fe0c-43b8-9311-7b8af17dd55b"	"dd3ea070-54a6-4ea7-b99b-a6e975fdd204"	"1c3ad0aa-ee78-4542-93b3-aa9fdf07add1"
+"3"	"Galactose (1MEOX) (5TMS) BP"	"Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--2]"	"1902.42212"	"4.422119"	"0.38635543"	"0.0406771079"	"0.8201285"	"383"	"0.7784506"	"0bfc9541-70d5-4d50-89c4-351a87971133"	"dd3ea070-54a6-4ea7-b99b-a6e975fdd204"	"1c3ad0aa-ee78-4542-93b3-aa9fdf07add1"
+"3"	"Glucose (1MEOX) (5TMS) BP"	"Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-2]"	"1899.05493"	"1.054953"	"0.397179246"	"0.06756685"	"0.75287354"	"131"	"0.776361"	"34a5b91e-e473-4ed6-9a40-067e0cd944f9"	"68513255-fc44-4041-bc4b-4fd2fae7541d"	"0a2b3536-2245-4c0e-bdbc-495766eeec67"
+"3"	"Idose (1MEOX) (5TMS) BP"	"Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]"	"1897.25439"	"0.745605469"	"0.432195932"	"0.07130679"	"0.629411757"	"107"	"0.6740747"	"d00de57d-6fab-49d0-9aee-25e259da9180"	"ab025068-f464-4bc6-9c92-994c29387db2"	"6f4e926f-d7ef-47b6-a52c-91ff88ca567a"
+"3"	"Glucose, U-13C- (1MEOX) (5TMS) BP"	"Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-10]"	"1901.63"	"3.63"	"0.442519277"	"0.050286"	"0.76"	"266"	"0.7361843"	"0d5164ce-be48-454d-979b-ed8b92e32c1d"	"441faccb-2631-4e7d-b6ca-99437265ccb8"	"96441b61-2891-4e81-93dc-d0fc0ad175d4"
+"3"	"Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS)"	"Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) [A189024-ambient-na-2]"	"1897.83862"	"0.161383286"	"0.444237381"	"0.04988712"	"0.717086852"	"256"	"0.6841814"	"c1d0193b-0442-41fe-aab0-fc2438624170"	"151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff"	"471f9ab0-1cf5-40d3-ba88-edc2458d3242"
+"3"	"Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP"	"Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-1]"	"1902.77417"	"4.77417"	"0.4479848"	"0.0491427779"	"0.7304582"	"271"	"0.6947696"	"7508f46a-70b0-43eb-b5b6-0421ff41c0e8"	"87e988c4-f26c-4e03-9a40-1b0c0b36ca67"	"163bf790-e995-46a9-8059-446172ddca0f"
+"3"	"Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP"	"Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1]"	"1893.44385"	"4.55619574"	"0.452163756"	"0.06325701"	"0.6106195"	"138"	"0.63247633"	"2b364030-9fa7-4066-b685-52d7946110a6"	"00ce759f-d1f9-492e-89f7-b7400a34c72d"	"da9d76f5-a2af-4fd1-89e1-c8426ad16980"
+"3"	"Glucose, 2-amino-2-deoxy- (5TMS) MP"	"Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--3]"	"1899.495"	"1.49494946"	"0.474485427"	"0.0493914336"	"0.7429306"	"289"	"0.7034532"	"754097ce-c7df-40cb-bec1-ba8b0fad83f8"	"2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6"	"539fe164-0ea9-4509-bf37-fc9bc8073646"
+"4"	"Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP"	"Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1]"	"1893.44385"	"4.55619574"	"0.40254572"	"0.05791846"	"0.445833325"	"107"	"0.528728"	"2b364030-9fa7-4066-b685-52d7946110a6"	"00ce759f-d1f9-492e-89f7-b7400a34c72d"	"da9d76f5-a2af-4fd1-89e1-c8426ad16980"
+"4"	"Galactose (1MEOX) (5TMS) BP"	"Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--2]"	"1902.42212"	"4.422119"	"0.403359115"	"0.0413857177"	"0.7048832"	"332"	"0.694246054"	"0bfc9541-70d5-4d50-89c4-351a87971133"	"dd3ea070-54a6-4ea7-b99b-a6e975fdd204"	"1c3ad0aa-ee78-4542-93b3-aa9fdf07add1"
+"4"	"Glucose (1MEOX) (5TMS) BP"	"Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-12]"	"1899.05493"	"1.054953"	"0.410697162"	"0.06408566"	"0.56"	"112"	"0.6205492"	"833ab58c-a8fa-4389-8b42-95e618cafb91"	"68513255-fc44-4041-bc4b-4fd2fae7541d"	"0a2b3536-2245-4c0e-bdbc-495766eeec67"
+"4"	"Glucose, U-13C- (1MEOX) (5TMS) BP"	"Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-10]"	"1901.63"	"3.63"	"0.4170415"	"0.04813416"	"0.63055557"	"227"	"0.651003"	"0d5164ce-be48-454d-979b-ed8b92e32c1d"	"441faccb-2631-4e7d-b6ca-99437265ccb8"	"96441b61-2891-4e81-93dc-d0fc0ad175d4"
+"4"	"Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS)"	"Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) [A189024-ambient-na-2]"	"1897.83862"	"0.161383286"	"0.418162525"	"0.0484009"	"0.551820755"	"197"	"0.5749244"	"c1d0193b-0442-41fe-aab0-fc2438624170"	"151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff"	"471f9ab0-1cf5-40d3-ba88-edc2458d3242"
+"4"	"Idose (1MEOX) (5TMS) BP"	"Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]"	"1897.25439"	"0.745605469"	"0.4213545"	"0.06334745"	"0.609523833"	"128"	"0.6601182"	"d00de57d-6fab-49d0-9aee-25e259da9180"	"ab025068-f464-4bc6-9c92-994c29387db2"	"6f4e926f-d7ef-47b6-a52c-91ff88ca567a"
+"4"	"Erythrose-4-phosphate (1MEOX) (4TMS) MP"	"Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]"	"1895.98438"	"2.01558065"	"0.423168719"	"0.0451050438"	"0.617788434"	"257"	"0.6188379"	"85927200-53a4-492a-ad57-0a7b1d8a6e85"	"d4f07f67-d45b-43b6-bd4c-d08708d1a7ad"	"2665f816-5c52-45ed-901e-4481cf048257"
+"4"	"Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP"	"Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-5]"	"1902.77417"	"4.77417"	"0.445822567"	"0.0513614975"	"0.5473373"	"185"	"0.578929663"	"7e14465a-7065-490c-9e50-e625c1c14f4d"	"87e988c4-f26c-4e03-9a40-1b0c0b36ca67"	"163bf790-e995-46a9-8059-446172ddca0f"
+"5"	"Glucose (1MEOX) (5TMS) BP"	"Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-20]"	"1899.05493"	"1.054953"	"0.354763538"	"0.06923945"	"0.6554054"	"97"	"0.6981253"	"8d439b60-424f-46f7-b996-c0c2114f797e"	"68513255-fc44-4041-bc4b-4fd2fae7541d"	"0a2b3536-2245-4c0e-bdbc-495766eeec67"
+"5"	"Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP"	"Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2]"	"1893.44385"	"4.55619574"	"0.402286351"	"0.0382821634"	"0.8251366"	"453"	"0.7650924"	"8bf796f1-f7cf-4df5-afbc-979b0d95a383"	"00ce759f-d1f9-492e-89f7-b7400a34c72d"	"da9d76f5-a2af-4fd1-89e1-c8426ad16980"
+"5"	"Galactose (1MEOX) (5TMS) BP"	"Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--17]"	"1902.42212"	"4.422119"	"0.411938727"	"0.0459032"	"0.7672634"	"300"	"0.728630841"	"1f3b3037-bb9d-45fa-9a9c-70cc299da470"	"dd3ea070-54a6-4ea7-b99b-a6e975fdd204"	"1c3ad0aa-ee78-4542-93b3-aa9fdf07add1"
+"5"	"Glucose, U-13C- (1MEOX) (5TMS) BP"	"Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-7]"	"1901.63"	"3.63"	"0.411938757"	"0.0815118"	"0.661290348"	"82"	"0.696781337"	"6c360eba-d726-44d9-a666-d0695d8448cf"	"441faccb-2631-4e7d-b6ca-99437265ccb8"	"96441b61-2891-4e81-93dc-d0fc0ad175d4"
+"5"	"Idose (1MEOX) (5TMS) BP"	"Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]"	"1897.25439"	"0.745605469"	"0.424958557"	"0.0713395"	"0.6227545"	"104"	"0.6678984"	"d00de57d-6fab-49d0-9aee-25e259da9180"	"ab025068-f464-4bc6-9c92-994c29387db2"	"6f4e926f-d7ef-47b6-a52c-91ff88ca567a"
+"5"	"Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS)"	"Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) [A189024-ambient-na-2]"	"1897.83862"	"0.161383286"	"0.484940231"	"0.0521224737"	"0.7254902"	"259"	"0.6899733"	"c1d0193b-0442-41fe-aab0-fc2438624170"	"151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff"	"471f9ab0-1cf5-40d3-ba88-edc2458d3242"
+"5"	"Erythrose-4-phosphate (1MEOX) (4TMS) MP"	"Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]"	"1895.98438"	"2.01558065"	"0.488564819"	"0.0484651364"	"0.7668269"	"319"	"0.720424533"	"85927200-53a4-492a-ad57-0a7b1d8a6e85"	"d4f07f67-d45b-43b6-bd4c-d08708d1a7ad"	"2665f816-5c52-45ed-901e-4481cf048257"
+"6"	"Glucose (1MEOX) (5TMS) BP"	"Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-20]"	"1899.05493"	"1.054953"	"0.315586"	"0.05261462"	"0.578947365"	"132"	"0.6002723"	"8d439b60-424f-46f7-b996-c0c2114f797e"	"68513255-fc44-4041-bc4b-4fd2fae7541d"	"0a2b3536-2245-4c0e-bdbc-495766eeec67"
+"6"	"Galactose (1MEOX) (5TMS) BP"	"Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--1]"	"1902.42212"	"4.422119"	"0.31916222"	"0.0516799167"	"0.556485355"	"133"	"0.5977888"	"c3592e5c-0d20-406b-ac62-32bd60255caf"	"dd3ea070-54a6-4ea7-b99b-a6e975fdd204"	"1c3ad0aa-ee78-4542-93b3-aa9fdf07add1"
+"6"	"Idose (1MEOX) (5TMS) BP"	"Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]"	"1897.25439"	"0.745605469"	"0.356775373"	"0.05557845"	"0.46320346"	"107"	"0.5265545"	"d00de57d-6fab-49d0-9aee-25e259da9180"	"ab025068-f464-4bc6-9c92-994c29387db2"	"6f4e926f-d7ef-47b6-a52c-91ff88ca567a"
+"6"	"Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP"	"Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2]"	"1893.44385"	"4.55619574"	"0.375095934"	"0.03693217"	"0.6"	"330"	"0.608352542"	"8bf796f1-f7cf-4df5-afbc-979b0d95a383"	"00ce759f-d1f9-492e-89f7-b7400a34c72d"	"da9d76f5-a2af-4fd1-89e1-c8426ad16980"
+"6"	"Glucose, 2-amino-2-deoxy- (5TMS) MP"	"Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--8]"	"1899.495"	"1.49494946"	"0.386559725"	"0.05199245"	"0.2972028"	"85"	"0.414242685"	"11e07008-ff9d-4d76-9b09-590beaa90f22"	"2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6"	"539fe164-0ea9-4509-bf37-fc9bc8073646"
+"6"	"Galactose_3_5TMS"	"Galactose_3_5TMS [A190022-ambient-na-1]"	"1896.3114"	"1.68858171"	"0.389454484"	"0.0513845235"	"0.386440665"	"114"	"0.4878328"	"ef78eeb1-ec7f-453d-90bd-cd1bf3b04153"	"f01236e3-4d1e-493a-bd99-3aca2801f86e"	"17441428-6e9c-4caf-84d5-561b494df795"
+"6"	"Glucose, U-13C- (1MEOX) (5TMS) BP"	"Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]"	"1901.63"	"3.63"	"0.453840375"	"0.06162652"	"0.5690377"	"136"	"0.606397"	"27d4dcdd-d351-4976-8ef9-76a0cc53f631"	"441faccb-2631-4e7d-b6ca-99437265ccb8"	"96441b61-2891-4e81-93dc-d0fc0ad175d4"
+"6"	"Erythrose-4-phosphate (1MEOX) (4TMS) MP"	"Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]"	"1895.98438"	"2.01558065"	"0.468880624"	"0.04719599"	"0.484560579"	"204"	"0.5354268"	"85927200-53a4-492a-ad57-0a7b1d8a6e85"	"d4f07f67-d45b-43b6-bd4c-d08708d1a7ad"	"2665f816-5c52-45ed-901e-4481cf048257"
+"7"	"Galactose (1MEOX) (5TMS) BP"	"Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--2]"	"1902.42212"	"4.422119"	"0.311034173"	"0.0363806225"	"0.568085134"	"267"	"0.5993147"	"0bfc9541-70d5-4d50-89c4-351a87971133"	"dd3ea070-54a6-4ea7-b99b-a6e975fdd204"	"1c3ad0aa-ee78-4542-93b3-aa9fdf07add1"
+"7"	"Glucose (1MEOX) (5TMS) BP"	"Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-26]"	"1899.05493"	"1.054953"	"0.3122851"	"0.0344914123"	"0.586666644"	"308"	"0.6017828"	"28f50103-c931-4a74-b5d2-1a77ac420ea5"	"68513255-fc44-4041-bc4b-4fd2fae7541d"	"0a2b3536-2245-4c0e-bdbc-495766eeec67"
+"7"	"Idose (1MEOX) (5TMS) BP"	"Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]"	"1897.25439"	"0.745605469"	"0.3334442"	"0.051751975"	"0.5742972"	"143"	"0.6182019"	"d00de57d-6fab-49d0-9aee-25e259da9180"	"ab025068-f464-4bc6-9c92-994c29387db2"	"6f4e926f-d7ef-47b6-a52c-91ff88ca567a"
+"7"	"Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP"	"Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2]"	"1893.44385"	"4.55619574"	"0.3596541"	"0.0359038"	"0.6200717"	"346"	"0.6268959"	"8bf796f1-f7cf-4df5-afbc-979b0d95a383"	"00ce759f-d1f9-492e-89f7-b7400a34c72d"	"da9d76f5-a2af-4fd1-89e1-c8426ad16980"
+"7"	"Glucose, 2-amino-2-deoxy- (5TMS) MP"	"Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--8]"	"1899.495"	"1.49494946"	"0.376751959"	"0.04970417"	"0.403278679"	"123"	"0.499903738"	"11e07008-ff9d-4d76-9b09-590beaa90f22"	"2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6"	"539fe164-0ea9-4509-bf37-fc9bc8073646"
+"7"	"Galactose_3_5TMS"	"Galactose_3_5TMS [A190022-ambient-na-1]"	"1896.3114"	"1.68858171"	"0.405417144"	"0.0507353619"	"0.4888889"	"154"	"0.5676107"	"ef78eeb1-ec7f-453d-90bd-cd1bf3b04153"	"f01236e3-4d1e-493a-bd99-3aca2801f86e"	"17441428-6e9c-4caf-84d5-561b494df795"
+"7"	"Glucose, U-13C- (1MEOX) (5TMS) BP"	"Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]"	"1901.63"	"3.63"	"0.4187165"	"0.0568623953"	"0.6795367"	"176"	"0.700350344"	"27d4dcdd-d351-4976-8ef9-76a0cc53f631"	"441faccb-2631-4e7d-b6ca-99437265ccb8"	"96441b61-2891-4e81-93dc-d0fc0ad175d4"
+"7"	"Erythrose-4-phosphate (1MEOX) (4TMS) MP"	"Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]"	"1895.98438"	"2.01558065"	"0.432310849"	"0.0449986123"	"0.5058548"	"216"	"0.553538561"	"85927200-53a4-492a-ad57-0a7b1d8a6e85"	"d4f07f67-d45b-43b6-bd4c-d08708d1a7ad"	"2665f816-5c52-45ed-901e-4481cf048257"
+"8"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"9"	"Glucose (1MEOX) (5TMS) BP"	"Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-4]"	"1899.05493"	"1.054953"	"0.128620371"	"0.06717883"	"0.8596491"	"49"	"0.802279055"	"62f9b835-3d55-4a27-81a1-0dab814aceb0"	"68513255-fc44-4041-bc4b-4fd2fae7541d"	"0a2b3536-2245-4c0e-bdbc-495766eeec67"
+"9"	"Galactose (1MEOX) (5TMS) BP"	"Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--11]"	"1902.42212"	"4.422119"	"0.203193992"	"0.08926585"	"0.843137264"	"43"	"0.789225161"	"5cf7c784-d01f-4163-ac19-ef2429eb410b"	"dd3ea070-54a6-4ea7-b99b-a6e975fdd204"	"1c3ad0aa-ee78-4542-93b3-aa9fdf07add1"
+"10"	"Glucose (1MEOX) (5TMS) BP"	"Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-4]"	"1899.05493"	"1.054953"	"0.145974338"	"0.072203666"	"0.839285731"	"47"	"0.774020731"	"62f9b835-3d55-4a27-81a1-0dab814aceb0"	"68513255-fc44-4041-bc4b-4fd2fae7541d"	"0a2b3536-2245-4c0e-bdbc-495766eeec67"
+"10"	"Galactose (1MEOX) (5TMS) BP"	"Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--11]"	"1902.42212"	"4.422119"	"0.231892109"	"0.09631036"	"0.82"	"41"	"0.7587727"	"5cf7c784-d01f-4163-ac19-ef2429eb410b"	"dd3ea070-54a6-4ea7-b99b-a6e975fdd204"	"1c3ad0aa-ee78-4542-93b3-aa9fdf07add1"
+"11"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"13"	"Glucose (1MEOX) (5TMS) BP"	"Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-20]"	"1899.05493"	"1.054953"	"0.169009715"	"0.0388460457"	"0.5535714"	"124"	"0.577645063"	"8d439b60-424f-46f7-b996-c0c2114f797e"	"68513255-fc44-4041-bc4b-4fd2fae7541d"	"0a2b3536-2245-4c0e-bdbc-495766eeec67"
+"13"	"Galactose (1MEOX) (5TMS) BP"	"Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--17]"	"1902.42212"	"4.422119"	"0.173254281"	"0.0297313016"	"0.4515306"	"177"	"0.5150558"	"1f3b3037-bb9d-45fa-9a9c-70cc299da470"	"dd3ea070-54a6-4ea7-b99b-a6e975fdd204"	"1c3ad0aa-ee78-4542-93b3-aa9fdf07add1"
+"13"	"Idose (1MEOX) (5TMS) BP"	"Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]"	"1897.25439"	"0.745605469"	"0.198374733"	"0.04144309"	"0.46320346"	"107"	"0.5265545"	"d00de57d-6fab-49d0-9aee-25e259da9180"	"ab025068-f464-4bc6-9c92-994c29387db2"	"6f4e926f-d7ef-47b6-a52c-91ff88ca567a"
+"13"	"Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP"	"Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2]"	"1893.44385"	"4.55619574"	"0.2139774"	"0.0279198289"	"0.5974499"	"328"	"0.6059947"	"8bf796f1-f7cf-4df5-afbc-979b0d95a383"	"00ce759f-d1f9-492e-89f7-b7400a34c72d"	"da9d76f5-a2af-4fd1-89e1-c8426ad16980"
+"13"	"Glucose, 2-amino-2-deoxy- (5TMS) MP"	"Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--3]"	"1899.495"	"1.49494946"	"0.295577049"	"0.03858825"	"0.46095717"	"183"	"0.5219953"	"754097ce-c7df-40cb-bec1-ba8b0fad83f8"	"2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6"	"539fe164-0ea9-4509-bf37-fc9bc8073646"
+"13"	"Glucose, U-13C- (1MEOX) (5TMS) BP"	"Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]"	"1901.63"	"3.63"	"0.298371822"	"0.04895468"	"0.626506031"	"156"	"0.6550603"	"27d4dcdd-d351-4976-8ef9-76a0cc53f631"	"441faccb-2631-4e7d-b6ca-99437265ccb8"	"96441b61-2891-4e81-93dc-d0fc0ad175d4"
+"13"	"Galactose_3_5TMS"	"Galactose_3_5TMS [A190022-ambient-na-1]"	"1896.3114"	"1.68858171"	"0.3004605"	"0.045287136"	"0.37542662"	"110"	"0.479125"	"ef78eeb1-ec7f-453d-90bd-cd1bf3b04153"	"f01236e3-4d1e-493a-bd99-3aca2801f86e"	"17441428-6e9c-4caf-84d5-561b494df795"
+"13"	"Erythrose-4-phosphate (1MEOX) (4TMS) MP"	"Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]"	"1895.98438"	"2.01558065"	"0.303167731"	"0.03795032"	"0.484560579"	"204"	"0.5354268"	"85927200-53a4-492a-ad57-0a7b1d8a6e85"	"d4f07f67-d45b-43b6-bd4c-d08708d1a7ad"	"2665f816-5c52-45ed-901e-4481cf048257"
+"14"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"15"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"16"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"17"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"18"	"Allantoin (5TMS)"	"Allantoin (5TMS) [A188009-ambient-na-5]"	"1896.99829"	"1.001709"	"0.209903836"	"0.0601583831"	"0.8103448"	"94"	"0.783262"	"817f2a03-9df5-46e3-973c-b2a9675109cf"	"a999f0d6-0285-41d9-a6ba-b705987b663c"	"65bb54d2-6bf7-4a53-aa22-8abf71240005"
+"18"	"Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP"	"Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1]"	"1893.44385"	"4.55619574"	"0.240307823"	"0.0475017"	"0.85915494"	"183"	"0.7903839"	"2b364030-9fa7-4066-b685-52d7946110a6"	"00ce759f-d1f9-492e-89f7-b7400a34c72d"	"da9d76f5-a2af-4fd1-89e1-c8426ad16980"
+"18"	"Galactose (1MEOX) (5TMS) BP"	"Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--6]"	"1902.42212"	"4.422119"	"0.266967148"	"0.0622020029"	"0.847826064"	"117"	"0.813898"	"6e056b61-4da9-46e3-970b-680a22e4afd0"	"dd3ea070-54a6-4ea7-b99b-a6e975fdd204"	"1c3ad0aa-ee78-4542-93b3-aa9fdf07add1"
+"18"	"Glucose (1MEOX) (5TMS) BP"	"Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-12]"	"1899.05493"	"1.054953"	"0.268232971"	"0.0625764355"	"0.846715331"	"116"	"0.813089132"	"833ab58c-a8fa-4389-8b42-95e618cafb91"	"68513255-fc44-4041-bc4b-4fd2fae7541d"	"0a2b3536-2245-4c0e-bdbc-495766eeec67"
+"18"	"Glucose, U-13C- (1MEOX) (5TMS) BP"	"Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]"	"1901.63"	"3.63"	"0.280021936"	"0.06640628"	"0.8267717"	"105"	"0.794855952"	"27d4dcdd-d351-4976-8ef9-76a0cc53f631"	"441faccb-2631-4e7d-b6ca-99437265ccb8"	"96441b61-2891-4e81-93dc-d0fc0ad175d4"
+"18"	"Idose (1MEOX) (5TMS) BP"	"Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]"	"1897.25439"	"0.745605469"	"0.289705932"	"0.063654"	"0.867132843"	"124"	"0.835505962"	"d00de57d-6fab-49d0-9aee-25e259da9180"	"ab025068-f464-4bc6-9c92-994c29387db2"	"6f4e926f-d7ef-47b6-a52c-91ff88ca567a"
+"18"	"Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP"	"Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-3]"	"1902.77417"	"4.77417"	"0.452285469"	"0.08009617"	"0.8865248"	"125"	"0.8606896"	"6754fc3e-ad28-4576-b723-60aa4fa0790b"	"87e988c4-f26c-4e03-9a40-1b0c0b36ca67"	"163bf790-e995-46a9-8059-446172ddca0f"
+"18"	"Glucose, 2-amino-2-deoxy- (5TMS) MP"	"Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--2]"	"1899.495"	"1.49494946"	"0.4736493"	"0.0596764"	"0.8947368"	"238"	"0.8278728"	"4c89b294-311e-4e11-8af3-8e80b969109f"	"2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6"	"539fe164-0ea9-4509-bf37-fc9bc8073646"
+"19"	"Glucose (1MEOX) (5TMS) BP"	"Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-26]"	"1899.05493"	"1.054953"	"0.189724684"	"0.0268077236"	"0.6041667"	"319"	"0.6153477"	"28f50103-c931-4a74-b5d2-1a77ac420ea5"	"68513255-fc44-4041-bc4b-4fd2fae7541d"	"0a2b3536-2245-4c0e-bdbc-495766eeec67"
+"19"	"Galactose (1MEOX) (5TMS) BP"	"Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--17]"	"1902.42212"	"4.422119"	"0.195334315"	"0.031528838"	"0.468193382"	"184"	"0.5269175"	"1f3b3037-bb9d-45fa-9a9c-70cc299da470"	"dd3ea070-54a6-4ea7-b99b-a6e975fdd204"	"1c3ad0aa-ee78-4542-93b3-aa9fdf07add1"
+"19"	"Idose (1MEOX) (5TMS) BP"	"Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]"	"1897.25439"	"0.745605469"	"0.205342725"	"0.0421646647"	"0.4848485"	"112"	"0.546345532"	"d00de57d-6fab-49d0-9aee-25e259da9180"	"ab025068-f464-4bc6-9c92-994c29387db2"	"6f4e926f-d7ef-47b6-a52c-91ff88ca567a"
+"19"	"Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP"	"Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2]"	"1893.44385"	"4.55619574"	"0.221429184"	"0.02832454"	"0.614130437"	"339"	"0.61901623"	"8bf796f1-f7cf-4df5-afbc-979b0d95a383"	"00ce759f-d1f9-492e-89f7-b7400a34c72d"	"da9d76f5-a2af-4fd1-89e1-c8426ad16980"
+"19"	"Glucose, U-13C- (1MEOX) (5TMS) BP"	"Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]"	"1901.63"	"3.63"	"0.293066233"	"0.04851748"	"0.646586359"	"161"	"0.6735261"	"27d4dcdd-d351-4976-8ef9-76a0cc53f631"	"441faccb-2631-4e7d-b6ca-99437265ccb8"	"96441b61-2891-4e81-93dc-d0fc0ad175d4"
+"19"	"Glucose, 2-amino-2-deoxy- (5TMS) MP"	"Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--3]"	"1899.495"	"1.49494946"	"0.294312984"	"0.0385056473"	"0.473551631"	"188"	"0.530448139"	"754097ce-c7df-40cb-bec1-ba8b0fad83f8"	"2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6"	"539fe164-0ea9-4509-bf37-fc9bc8073646"
+"19"	"Erythrose-4-phosphate (1MEOX) (4TMS) MP"	"Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]"	"1895.98438"	"2.01558065"	"0.2977491"	"0.03747635"	"0.5070755"	"215"	"0.5523996"	"85927200-53a4-492a-ad57-0a7b1d8a6e85"	"d4f07f67-d45b-43b6-bd4c-d08708d1a7ad"	"2665f816-5c52-45ed-901e-4481cf048257"
+"19"	"Allantoin (5TMS)"	"Allantoin (5TMS) [A188009-ambient-na-6]"	"1896.99829"	"1.001709"	"0.303958982"	"0.04892216"	"0.6062992"	"154"	"0.6474817"	"063fa226-ed62-4d9f-9d5c-ee52c0974e55"	"a999f0d6-0285-41d9-a6ba-b705987b663c"	"65bb54d2-6bf7-4a53-aa22-8abf71240005"
+"20"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"21"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"22"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"23"	"Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP"	"Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2]"	"1893.44385"	"4.55619574"	"0.31787312"	"0.0340916663"	"0.892138958"	"488"	"0.8194986"	"8bf796f1-f7cf-4df5-afbc-979b0d95a383"	"00ce759f-d1f9-492e-89f7-b7400a34c72d"	"da9d76f5-a2af-4fd1-89e1-c8426ad16980"
+"23"	"Allantoin (5TMS)"	"Allantoin (5TMS) [A188009-ambient-na-5]"	"1896.99829"	"1.001709"	"0.40171"	"0.07521893"	"0.8239437"	"117"	"0.8287425"	"817f2a03-9df5-46e3-973c-b2a9675109cf"	"a999f0d6-0285-41d9-a6ba-b705987b663c"	"65bb54d2-6bf7-4a53-aa22-8abf71240005"
+"23"	"Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP"	"Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-5]"	"1902.77417"	"4.77417"	"0.4068263"	"0.0493567176"	"0.832335353"	"278"	"0.7741276"	"7e14465a-7065-490c-9e50-e625c1c14f4d"	"87e988c4-f26c-4e03-9a40-1b0c0b36ca67"	"163bf790-e995-46a9-8059-446172ddca0f"
+"23"	"Erythrose-4-phosphate (1MEOX) (4TMS) MP"	"Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]"	"1895.98438"	"2.01558065"	"0.412308335"	"0.0445760936"	"0.8578313"	"356"	"0.789270163"	"85927200-53a4-492a-ad57-0a7b1d8a6e85"	"d4f07f67-d45b-43b6-bd4c-d08708d1a7ad"	"2665f816-5c52-45ed-901e-4481cf048257"
+"23"	"Galactose (1MEOX) (5TMS) BP"	"Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--6]"	"1902.42212"	"4.422119"	"0.412312329"	"0.073175855"	"0.77922076"	"120"	"0.7812011"	"6e056b61-4da9-46e3-970b-680a22e4afd0"	"dd3ea070-54a6-4ea7-b99b-a6e975fdd204"	"1c3ad0aa-ee78-4542-93b3-aa9fdf07add1"
+"23"	"Glucose (1MEOX) (5TMS) BP"	"Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-12]"	"1899.05493"	"1.054953"	"0.413312733"	"0.0737450048"	"0.7697368"	"117"	"0.7728186"	"833ab58c-a8fa-4389-8b42-95e618cafb91"	"68513255-fc44-4041-bc4b-4fd2fae7541d"	"0a2b3536-2245-4c0e-bdbc-495766eeec67"
+"23"	"Glucose, U-13C- (1MEOX) (5TMS) BP"	"Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]"	"1901.63"	"3.63"	"0.424154133"	"0.07648792"	"0.7724138"	"112"	"0.7785659"	"27d4dcdd-d351-4976-8ef9-76a0cc53f631"	"441faccb-2631-4e7d-b6ca-99437265ccb8"	"96441b61-2891-4e81-93dc-d0fc0ad175d4"
+"23"	"Idose (1MEOX) (5TMS) BP"	"Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]"	"1897.25439"	"0.745605469"	"0.43131122"	"0.07297143"	"0.820987642"	"133"	"0.819381952"	"d00de57d-6fab-49d0-9aee-25e259da9180"	"ab025068-f464-4bc6-9c92-994c29387db2"	"6f4e926f-d7ef-47b6-a52c-91ff88ca567a"
+"23"	"Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS)"	"Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) [A189024-ambient-na-2]"	"1897.83862"	"0.161383286"	"0.437627643"	"0.0495146"	"0.8347339"	"298"	"0.7703705"	"c1d0193b-0442-41fe-aab0-fc2438624170"	"151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff"	"471f9ab0-1cf5-40d3-ba88-edc2458d3242"
+"24"	"Galactose_3_5TMS"	"Galactose_3_5TMS [A190022-ambient-na-1]"	"1896.3114"	"1.68858171"	"0.232288077"	"0.0416352376"	"0.5074627"	"136"	"0.5617198"	"ef78eeb1-ec7f-453d-90bd-cd1bf3b04153"	"f01236e3-4d1e-493a-bd99-3aca2801f86e"	"17441428-6e9c-4caf-84d5-561b494df795"
+"24"	"Galactose (1MEOX) (5TMS) BP"	"Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--2]"	"1902.42212"	"4.422119"	"0.235254377"	"0.03180954"	"0.716129"	"333"	"0.6976916"	"0bfc9541-70d5-4d50-89c4-351a87971133"	"dd3ea070-54a6-4ea7-b99b-a6e975fdd204"	"1c3ad0aa-ee78-4542-93b3-aa9fdf07add1"
+"24"	"Glucose (1MEOX) (5TMS) BP"	"Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-20]"	"1899.05493"	"1.054953"	"0.239975646"	"0.0519264452"	"0.606741548"	"108"	"0.65231514"	"8d439b60-424f-46f7-b996-c0c2114f797e"	"68513255-fc44-4041-bc4b-4fd2fae7541d"	"0a2b3536-2245-4c0e-bdbc-495766eeec67"
+"24"	"Idose (1MEOX) (5TMS) BP"	"Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]"	"1897.25439"	"0.745605469"	"0.2622103"	"0.0521268174"	"0.55440414"	"107"	"0.6185626"	"d00de57d-6fab-49d0-9aee-25e259da9180"	"ab025068-f464-4bc6-9c92-994c29387db2"	"6f4e926f-d7ef-47b6-a52c-91ff88ca567a"
+"24"	"Glucose, 2-amino-2-deoxy- (5TMS) MP"	"Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--8]"	"1899.495"	"1.49494946"	"0.2700426"	"0.04423608"	"0.510869563"	"141"	"0.560991943"	"11e07008-ff9d-4d76-9b09-590beaa90f22"	"2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6"	"539fe164-0ea9-4509-bf37-fc9bc8073646"
+"24"	"Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP"	"Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2]"	"1893.44385"	"4.55619574"	"0.286982745"	"0.03230439"	"0.7381818"	"406"	"0.701555133"	"8bf796f1-f7cf-4df5-afbc-979b0d95a383"	"00ce759f-d1f9-492e-89f7-b7400a34c72d"	"da9d76f5-a2af-4fd1-89e1-c8426ad16980"
+"24"	"Glucose, U-13C- (1MEOX) (5TMS) BP"	"Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-7]"	"1901.63"	"3.63"	"0.3181354"	"0.0596203469"	"0.798882663"	"143"	"0.799955"	"6c360eba-d726-44d9-a666-d0695d8448cf"	"441faccb-2631-4e7d-b6ca-99437265ccb8"	"96441b61-2891-4e81-93dc-d0fc0ad175d4"
+"24"	"Erythrose-4-phosphate (1MEOX) (4TMS) MP"	"Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]"	"1895.98438"	"2.01558065"	"0.35163945"	"0.0409691334"	"0.6587112"	"276"	"0.648871064"	"85927200-53a4-492a-ad57-0a7b1d8a6e85"	"d4f07f67-d45b-43b6-bd4c-d08708d1a7ad"	"2665f816-5c52-45ed-901e-4481cf048257"
+"25"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"26"	"Galactose_3_5TMS"	"Galactose_3_5TMS [A190022-ambient-na-1]"	"1896.3114"	"1.68858171"	"0.19449544"	"0.03802713"	"0.583643138"	"157"	"0.614511251"	"ef78eeb1-ec7f-453d-90bd-cd1bf3b04153"	"f01236e3-4d1e-493a-bd99-3aca2801f86e"	"17441428-6e9c-4caf-84d5-561b494df795"
+"26"	"Galactose (1MEOX) (5TMS) BP"	"Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--17]"	"1902.42212"	"4.422119"	"0.3217005"	"0.0406170674"	"0.6871795"	"268"	"0.670606434"	"1f3b3037-bb9d-45fa-9a9c-70cc299da470"	"dd3ea070-54a6-4ea7-b99b-a6e975fdd204"	"1c3ad0aa-ee78-4542-93b3-aa9fdf07add1"
+"26"	"Glucose (1MEOX) (5TMS) BP"	"Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-34]"	"1899.05493"	"1.054953"	"0.344280958"	"0.0430808775"	"0.6792453"	"252"	"0.6687114"	"8dee81a1-8d98-4a73-b55d-9de42f10e190"	"68513255-fc44-4041-bc4b-4fd2fae7541d"	"0a2b3536-2245-4c0e-bdbc-495766eeec67"
+"26"	"Idose (1MEOX) (5TMS) BP"	"Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]"	"1897.25439"	"0.745605469"	"0.395884931"	"0.06784772"	"0.4883721"	"84"	"0.5683281"	"d00de57d-6fab-49d0-9aee-25e259da9180"	"ab025068-f464-4bc6-9c92-994c29387db2"	"6f4e926f-d7ef-47b6-a52c-91ff88ca567a"
+"26"	"Glucose, 2-amino-2-deoxy- (5TMS) MP"	"Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--3]"	"1899.495"	"1.49494946"	"0.427320033"	"0.04681223"	"0.6769231"	"264"	"0.659248"	"754097ce-c7df-40cb-bec1-ba8b0fad83f8"	"2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6"	"539fe164-0ea9-4509-bf37-fc9bc8073646"
+"26"	"Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP"	"Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1]"	"1893.44385"	"4.55619574"	"0.427679241"	"0.06071977"	"0.5301724"	"123"	"0.5829808"	"2b364030-9fa7-4066-b685-52d7946110a6"	"00ce759f-d1f9-492e-89f7-b7400a34c72d"	"da9d76f5-a2af-4fd1-89e1-c8426ad16980"
+"26"	"Glucose, U-13C- (1MEOX) (5TMS) BP"	"Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]"	"1901.63"	"3.63"	"0.465603054"	"0.07114003"	"0.6576087"	"121"	"0.69967103"	"27d4dcdd-d351-4976-8ef9-76a0cc53f631"	"441faccb-2631-4e7d-b6ca-99437265ccb8"	"96441b61-2891-4e81-93dc-d0fc0ad175d4"
+"26"	"Allantoin (5TMS)"	"Allantoin (5TMS) [A188009-ambient-na-3]"	"1896.99829"	"1.001709"	"0.465666384"	"0.0664371848"	"0.592417061"	"125"	"0.644419968"	"8216bdb2-7a7d-440c-95eb-7e63f8e8c502"	"a999f0d6-0285-41d9-a6ba-b705987b663c"	"65bb54d2-6bf7-4a53-aa22-8abf71240005"
+"27"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"28"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"29"	"Glucose (1MEOX) (5TMS) BP"	"Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-13]"	"1899.05493"	"1.054953"	"0.09931051"	"0.03675817"	"0.8707483"	"128"	"0.838178635"	"3077498f-10ce-4b5c-ba6a-9b6f439e8248"	"68513255-fc44-4041-bc4b-4fd2fae7541d"	"0a2b3536-2245-4c0e-bdbc-495766eeec67"
+"29"	"Galactose (1MEOX) (5TMS) BP"	"Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--7]"	"1902.42212"	"4.422119"	"0.421677"	"0.06322134"	"0.890995264"	"188"	"0.8402361"	"39e48209-b3a4-41cf-b83d-78d92a054d12"	"dd3ea070-54a6-4ea7-b99b-a6e975fdd204"	"1c3ad0aa-ee78-4542-93b3-aa9fdf07add1"
+"30"	"Glucose (1MEOX) (5TMS) BP"	"Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-2]"	"1899.05493"	"1.054953"	"0.2612175"	"0.05961526"	"0.877551"	"129"	"0.8724958"	"34a5b91e-e473-4ed6-9a40-067e0cd944f9"	"68513255-fc44-4041-bc4b-4fd2fae7541d"	"0a2b3536-2245-4c0e-bdbc-495766eeec67"
+"30"	"Galactose (1MEOX) (5TMS) BP"	"Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--2]"	"1902.42212"	"4.422119"	"0.308447272"	"0.0369433463"	"0.8960177"	"405"	"0.826731861"	"0bfc9541-70d5-4d50-89c4-351a87971133"	"dd3ea070-54a6-4ea7-b99b-a6e975fdd204"	"1c3ad0aa-ee78-4542-93b3-aa9fdf07add1"
+"30"	"Glucose, U-13C- (1MEOX) (5TMS) BP"	"Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-7]"	"1901.63"	"3.63"	"0.31029287"	"0.07687874"	"0.8857143"	"93"	"0.8900069"	"6c360eba-d726-44d9-a666-d0695d8448cf"	"441faccb-2631-4e7d-b6ca-99437265ccb8"	"96441b61-2891-4e81-93dc-d0fc0ad175d4"
+"30"	"Idose (1MEOX) (5TMS) BP"	"Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]"	"1897.25439"	"0.745605469"	"0.328630984"	"0.0649093"	"0.8397436"	"131"	"0.8301488"	"d00de57d-6fab-49d0-9aee-25e259da9180"	"ab025068-f464-4bc6-9c92-994c29387db2"	"6f4e926f-d7ef-47b6-a52c-91ff88ca567a"
+"30"	"Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP"	"Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1]"	"1893.44385"	"4.55619574"	"0.3761082"	"0.0575649925"	"0.845815"	"192"	"0.810805559"	"2b364030-9fa7-4066-b685-52d7946110a6"	"00ce759f-d1f9-492e-89f7-b7400a34c72d"	"da9d76f5-a2af-4fd1-89e1-c8426ad16980"
+"30"	"Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS)"	"Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) [A189024-ambient-na-2]"	"1897.83862"	"0.161383286"	"0.3884204"	"0.04664788"	"0.8627451"	"308"	"0.7934234"	"c1d0193b-0442-41fe-aab0-fc2438624170"	"151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff"	"471f9ab0-1cf5-40d3-ba88-edc2458d3242"
+"30"	"Allantoin (5TMS)"	"Allantoin (5TMS) [A188009-ambient-na-4]"	"1896.99829"	"1.001709"	"0.3937276"	"0.0530314967"	"0.85"	"238"	"0.7980373"	"d943c34e-3a28-43a2-9cbc-a05ab6a7a506"	"a999f0d6-0285-41d9-a6ba-b705987b663c"	"65bb54d2-6bf7-4a53-aa22-8abf71240005"
+"30"	"Glucose, 2-amino-2-deoxy- (5TMS) MP"	"Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--3]"	"1899.495"	"1.49494946"	"0.412831277"	"0.04613021"	"0.873711348"	"339"	"0.8028878"	"754097ce-c7df-40cb-bec1-ba8b0fad83f8"	"2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6"	"539fe164-0ea9-4509-bf37-fc9bc8073646"
+"31"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"32"	"Galactose_3_5TMS"	"Galactose_3_5TMS [A190022-ambient-na-1]"	"1896.3114"	"1.68858171"	"0.285083026"	"0.0468289033"	"0.8923077"	"232"	"0.838121355"	"ef78eeb1-ec7f-453d-90bd-cd1bf3b04153"	"f01236e3-4d1e-493a-bd99-3aca2801f86e"	"17441428-6e9c-4caf-84d5-561b494df795"
+"33"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"34"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"35"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"36"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"37"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"38"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"39"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"40"	"Galactose (1MEOX) (5TMS) BP"	"Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--6]"	"1902.42212"	"4.422119"	"0.277911574"	"0.06256395"	"0.732394338"	"104"	"0.729044855"	"6e056b61-4da9-46e3-970b-680a22e4afd0"	"dd3ea070-54a6-4ea7-b99b-a6e975fdd204"	"1c3ad0aa-ee78-4542-93b3-aa9fdf07add1"
+"40"	"Glucose (1MEOX) (5TMS) BP"	"Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-12]"	"1899.05493"	"1.054953"	"0.278482944"	"0.06262823"	"0.7394366"	"105"	"0.736245036"	"833ab58c-a8fa-4389-8b42-95e618cafb91"	"68513255-fc44-4041-bc4b-4fd2fae7541d"	"0a2b3536-2245-4c0e-bdbc-495766eeec67"
+"40"	"Idose (1MEOX) (5TMS) BP"	"Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]"	"1897.25439"	"0.745605469"	"0.280440927"	"0.0621944554"	"0.737931"	"107"	"0.732707858"	"d00de57d-6fab-49d0-9aee-25e259da9180"	"ab025068-f464-4bc6-9c92-994c29387db2"	"6f4e926f-d7ef-47b6-a52c-91ff88ca567a"
+"40"	"Glucose, U-13C- (1MEOX) (5TMS) BP"	"Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]"	"1901.63"	"3.63"	"0.2874546"	"0.0645446256"	"0.768115938"	"106"	"0.7676177"	"27d4dcdd-d351-4976-8ef9-76a0cc53f631"	"441faccb-2631-4e7d-b6ca-99437265ccb8"	"96441b61-2891-4e81-93dc-d0fc0ad175d4"
+"40"	"Allantoin (5TMS)"	"Allantoin (5TMS) [A188009-ambient-na-5]"	"1896.99829"	"1.001709"	"0.2895849"	"0.06674693"	"0.77692306"	"101"	"0.7805435"	"817f2a03-9df5-46e3-973c-b2a9675109cf"	"a999f0d6-0285-41d9-a6ba-b705987b663c"	"65bb54d2-6bf7-4a53-aa22-8abf71240005"
+"40"	"Erythrose-4-phosphate (1MEOX) (4TMS) MP"	"Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]"	"1895.98438"	"2.01558065"	"0.2977326"	"0.0378339365"	"0.8798077"	"366"	"0.810132563"	"85927200-53a4-492a-ad57-0a7b1d8a6e85"	"d4f07f67-d45b-43b6-bd4c-d08708d1a7ad"	"2665f816-5c52-45ed-901e-4481cf048257"
+"40"	"Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP"	"Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1]"	"1893.44385"	"4.55619574"	"0.297866017"	"0.0522753857"	"0.788990855"	"172"	"0.7474291"	"2b364030-9fa7-4066-b685-52d7946110a6"	"00ce759f-d1f9-492e-89f7-b7400a34c72d"	"da9d76f5-a2af-4fd1-89e1-c8426ad16980"
+"40"	"Glucose, 2-amino-2-deoxy- (5TMS) MP"	"Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--3]"	"1899.495"	"1.49494946"	"0.3113892"	"0.0400636867"	"0.8685567"	"337"	"0.798404"	"754097ce-c7df-40cb-bec1-ba8b0fad83f8"	"2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6"	"539fe164-0ea9-4509-bf37-fc9bc8073646"
+"40"	"Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS)"	"Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) [A189024-ambient-na-2]"	"1897.83862"	"0.161383286"	"0.3266352"	"0.042777203"	"0.857142866"	"306"	"0.7886923"	"c1d0193b-0442-41fe-aab0-fc2438624170"	"151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff"	"471f9ab0-1cf5-40d3-ba88-edc2458d3242"
+"41"	"Glucose (1MEOX) (5TMS) BP"	"Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-2]"	"1899.05493"	"1.054953"	"0.274106264"	"0.0659613"	"0.880952358"	"111"	"0.8493862"	"34a5b91e-e473-4ed6-9a40-067e0cd944f9"	"68513255-fc44-4041-bc4b-4fd2fae7541d"	"0a2b3536-2245-4c0e-bdbc-495766eeec67"
+"41"	"Galactose (1MEOX) (5TMS) BP"	"Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--4]"	"1902.42212"	"4.422119"	"0.3795422"	"0.0640559047"	"0.8972973"	"166"	"0.846152842"	"aa553c8b-f188-48eb-ae82-5d7769781ff3"	"dd3ea070-54a6-4ea7-b99b-a6e975fdd204"	"1c3ad0aa-ee78-4542-93b3-aa9fdf07add1"
+"41"	"Glucose, U-13C- (1MEOX) (5TMS) BP"	"Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-7]"	"1901.63"	"3.63"	"0.388783872"	"0.09984397"	"0.8076923"	"63"	"0.7976193"	"6c360eba-d726-44d9-a666-d0695d8448cf"	"441faccb-2631-4e7d-b6ca-99437265ccb8"	"96441b61-2891-4e81-93dc-d0fc0ad175d4"
+"41"	"Idose (1MEOX) (5TMS) BP"	"Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]"	"1897.25439"	"0.745605469"	"0.411971271"	"0.07755114"	"0.8540146"	"117"	"0.807369"	"d00de57d-6fab-49d0-9aee-25e259da9180"	"ab025068-f464-4bc6-9c92-994c29387db2"	"6f4e926f-d7ef-47b6-a52c-91ff88ca567a"
+"42"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"43"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"44"	"Hexadecenoic acid methyl ester, 9-(Z)-, n-"	"Hexadecenoic acid methyl ester, 9-(Z)-, n- [A190014-ambient-n--1]"	"1897.67859"	"0.321411133"	"0.496792018"	"0.0564319454"	"0.8076923"	"252"	"0.7531352"	"1ac5af55-f8bc-49fd-9808-23a0722c0288"	"75683e89-302c-4280-a15e-e1187cd75ceb"	"75683e89-302c-4280-a15e-e1187cd75ceb"
+"45"	"Allantoin (5TMS)"	"Allantoin (5TMS) [A188009-ambient-na-5]"	"1896.99829"	"1.001709"	"0.240036309"	"0.0654703155"	"0.8660714"	"97"	"0.817842841"	"817f2a03-9df5-46e3-973c-b2a9675109cf"	"a999f0d6-0285-41d9-a6ba-b705987b663c"	"65bb54d2-6bf7-4a53-aa22-8abf71240005"
+"45"	"Galactose (1MEOX) (5TMS) BP"	"Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--6]"	"1902.42212"	"4.422119"	"0.295640856"	"0.06642703"	"0.8955224"	"120"	"0.846885443"	"6e056b61-4da9-46e3-970b-680a22e4afd0"	"dd3ea070-54a6-4ea7-b99b-a6e975fdd204"	"1c3ad0aa-ee78-4542-93b3-aa9fdf07add1"
+"45"	"Glucose (1MEOX) (5TMS) BP"	"Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-12]"	"1899.05493"	"1.054953"	"0.2960842"	"0.06672626"	"0.8947368"	"119"	"0.8462343"	"833ab58c-a8fa-4389-8b42-95e618cafb91"	"68513255-fc44-4041-bc4b-4fd2fae7541d"	"0a2b3536-2245-4c0e-bdbc-495766eeec67"
+"45"	"Glucose, U-13C- (1MEOX) (5TMS) BP"	"Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]"	"1901.63"	"3.63"	"0.30949235"	"0.07036958"	"0.896"	"112"	"0.8524104"	"27d4dcdd-d351-4976-8ef9-76a0cc53f631"	"441faccb-2631-4e7d-b6ca-99437265ccb8"	"96441b61-2891-4e81-93dc-d0fc0ad175d4"
+"45"	"Idose (1MEOX) (5TMS) BP"	"Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]"	"1897.25439"	"0.745605469"	"0.321015328"	"0.0684569553"	"0.8978102"	"123"	"0.8487915"	"d00de57d-6fab-49d0-9aee-25e259da9180"	"ab025068-f464-4bc6-9c92-994c29387db2"	"6f4e926f-d7ef-47b6-a52c-91ff88ca567a"
+"46"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"47"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"48"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"49"	"Glucose, U-13C- (1MEOX) (5TMS) BP"	"Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]"	"1901.63"	"3.63"	"0.339354962"	"0.06794906"	"0.789115667"	"116"	"0.7937466"	"27d4dcdd-d351-4976-8ef9-76a0cc53f631"	"441faccb-2631-4e7d-b6ca-99437265ccb8"	"96441b61-2891-4e81-93dc-d0fc0ad175d4"
+"49"	"Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP"	"Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-9]"	"1902.77417"	"4.77417"	"0.3519312"	"0.0481179468"	"0.858552635"	"261"	"0.8186131"	"8bbd7202-8794-4486-8b16-61d8dff4c5bd"	"87e988c4-f26c-4e03-9a40-1b0c0b36ca67"	"163bf790-e995-46a9-8059-446172ddca0f"
+"49"	"Glucose (1MEOX) (5TMS) BP"	"Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-1]"	"1899.05493"	"1.054953"	"0.359753639"	"0.040576715"	"0.8741419"	"382"	"0.809872568"	"e62d396e-0d3a-4414-88f0-021d5142f09b"	"68513255-fc44-4041-bc4b-4fd2fae7541d"	"0a2b3536-2245-4c0e-bdbc-495766eeec67"
+"49"	"Erythrose-4-phosphate (1MEOX) (4TMS) MP"	"Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]"	"1895.98438"	"2.01558065"	"0.360862046"	"0.04160232"	"0.8633093"	"360"	"0.797326"	"85927200-53a4-492a-ad57-0a7b1d8a6e85"	"d4f07f67-d45b-43b6-bd4c-d08708d1a7ad"	"2665f816-5c52-45ed-901e-4481cf048257"
+"49"	"Galactose (1MEOX) (5TMS) BP"	"Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--9]"	"1902.42212"	"4.422119"	"0.369685978"	"0.0597649142"	"0.845410645"	"175"	"0.8303501"	"c1226b8e-944e-4d32-ae01-8a9d12465d34"	"dd3ea070-54a6-4ea7-b99b-a6e975fdd204"	"1c3ad0aa-ee78-4542-93b3-aa9fdf07add1"
+"49"	"Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP"	"Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1]"	"1893.44385"	"4.55619574"	"0.373405039"	"0.0552105457"	"0.8897959"	"218"	"0.871291757"	"2b364030-9fa7-4066-b685-52d7946110a6"	"00ce759f-d1f9-492e-89f7-b7400a34c72d"	"da9d76f5-a2af-4fd1-89e1-c8426ad16980"
+"49"	"Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS)"	"Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) [A189024-ambient-na-2]"	"1897.83862"	"0.161383286"	"0.381997973"	"0.04606746"	"0.844444454"	"304"	"0.7836719"	"c1d0193b-0442-41fe-aab0-fc2438624170"	"151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff"	"471f9ab0-1cf5-40d3-ba88-edc2458d3242"
+"49"	"Glucose, 2-amino-2-deoxy- (5TMS) MP"	"Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--3]"	"1899.495"	"1.49494946"	"0.41416198"	"0.0457932577"	"0.86835444"	"343"	"0.810132265"	"754097ce-c7df-40cb-bec1-ba8b0fad83f8"	"2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6"	"539fe164-0ea9-4509-bf37-fc9bc8073646"
+"49"	"Allantoin (5TMS)"	"Allantoin (5TMS) [A188009-ambient-na-4]"	"1896.99829"	"1.001709"	"0.456007272"	"0.0551366322"	"0.8933333"	"268"	"0.8647887"	"d943c34e-3a28-43a2-9cbc-a05ab6a7a506"	"a999f0d6-0285-41d9-a6ba-b705987b663c"	"65bb54d2-6bf7-4a53-aa22-8abf71240005"
+"50"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"51"	"Glucose, U-13C- (1MEOX) (5TMS) BP"	"Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]"	"1901.63"	"3.63"	"0.123899154"	"0.04382828"	"0.8914729"	"115"	"0.859087646"	"27d4dcdd-d351-4976-8ef9-76a0cc53f631"	"441faccb-2631-4e7d-b6ca-99437265ccb8"	"96441b61-2891-4e81-93dc-d0fc0ad175d4"
+"51"	"Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP"	"Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-3]"	"1902.77417"	"4.77417"	"0.335227549"	"0.0710001141"	"0.864661634"	"115"	"0.820953369"	"6754fc3e-ad28-4576-b723-60aa4fa0790b"	"87e988c4-f26c-4e03-9a40-1b0c0b36ca67"	"163bf790-e995-46a9-8059-446172ddca0f"
+"52"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"53"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"54"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"55"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"56"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"57"	"Galactose_3_5TMS"	"Galactose_3_5TMS [A190022-ambient-na-1]"	"1896.3114"	"1.68858171"	"0.3086605"	"0.0472080037"	"0.8050541"	"223"	"0.7846002"	"ef78eeb1-ec7f-453d-90bd-cd1bf3b04153"	"f01236e3-4d1e-493a-bd99-3aca2801f86e"	"17441428-6e9c-4caf-84d5-561b494df795"
+"57"	"Glucose (1MEOX) (5TMS) BP"	"Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-2]"	"1899.05493"	"1.054953"	"0.432055831"	"0.0723674"	"0.8242424"	"136"	"0.8337416"	"34a5b91e-e473-4ed6-9a40-067e0cd944f9"	"68513255-fc44-4041-bc4b-4fd2fae7541d"	"0a2b3536-2245-4c0e-bdbc-495766eeec67"
+"57"	"Galactose (1MEOX) (5TMS) BP"	"Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--8]"	"1902.42212"	"4.422119"	"0.440757215"	"0.0556150451"	"0.8245614"	"235"	"0.8042714"	"9c570b75-fe0c-43b8-9311-7b8af17dd55b"	"dd3ea070-54a6-4ea7-b99b-a6e975fdd204"	"1c3ad0aa-ee78-4542-93b3-aa9fdf07add1"
+"57"	"Glucose, 2-amino-2-deoxy- (5TMS) MP"	"Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--8]"	"1899.495"	"1.49494946"	"0.482367963"	"0.0575781539"	"0.824742258"	"240"	"0.802868068"	"11e07008-ff9d-4d76-9b09-590beaa90f22"	"2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6"	"539fe164-0ea9-4509-bf37-fc9bc8073646"
+"57"	"Idose (1MEOX) (5TMS) BP"	"Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]"	"1897.25439"	"0.745605469"	"0.494594038"	"0.07413156"	"0.8333333"	"150"	"0.839251935"	"d00de57d-6fab-49d0-9aee-25e259da9180"	"ab025068-f464-4bc6-9c92-994c29387db2"	"6f4e926f-d7ef-47b6-a52c-91ff88ca567a"
+"58"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"59"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"60"	"Glucose (1MEOX) (5TMS) BP"	"Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-18]"	"1899.05493"	"1.054953"	"0.17318368"	"0.06273749"	"0.852272749"	"75"	"0.8504949"	"3468acbd-3fed-489b-b93d-b3c9beab9f82"	"68513255-fc44-4041-bc4b-4fd2fae7541d"	"0a2b3536-2245-4c0e-bdbc-495766eeec67"
+"60"	"Glucose, U-13C- (1MEOX) (5TMS) BP"	"Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-7]"	"1901.63"	"3.63"	"0.175843075"	"0.0643232837"	"0.8235294"	"70"	"0.8236748"	"6c360eba-d726-44d9-a666-d0695d8448cf"	"441faccb-2631-4e7d-b6ca-99437265ccb8"	"96441b61-2891-4e81-93dc-d0fc0ad175d4"
+"60"	"Idose (1MEOX) (5TMS) BP"	"Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]"	"1897.25439"	"0.745605469"	"0.185437113"	"0.05092667"	"0.853146851"	"122"	"0.8227301"	"d00de57d-6fab-49d0-9aee-25e259da9180"	"ab025068-f464-4bc6-9c92-994c29387db2"	"6f4e926f-d7ef-47b6-a52c-91ff88ca567a"
+"60"	"Galactose (1MEOX) (5TMS) BP"	"Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--9]"	"1902.42212"	"4.422119"	"0.185893178"	"0.0448291861"	"0.854054034"	"158"	"0.802647948"	"c1226b8e-944e-4d32-ae01-8a9d12465d34"	"dd3ea070-54a6-4ea7-b99b-a6e975fdd204"	"1c3ad0aa-ee78-4542-93b3-aa9fdf07add1"
+"60"	"Allantoin (5TMS)"	"Allantoin (5TMS) [A188009-ambient-na-5]"	"1896.99829"	"1.001709"	"0.2467115"	"0.0623315349"	"0.8976378"	"114"	"0.88253355"	"817f2a03-9df5-46e3-973c-b2a9675109cf"	"a999f0d6-0285-41d9-a6ba-b705987b663c"	"65bb54d2-6bf7-4a53-aa22-8abf71240005"
+"60"	"Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP"	"Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-9]"	"1902.77417"	"4.77417"	"0.2950538"	"0.04510935"	"0.8965517"	"260"	"0.8291562"	"8bbd7202-8794-4486-8b16-61d8dff4c5bd"	"87e988c4-f26c-4e03-9a40-1b0c0b36ca67"	"163bf790-e995-46a9-8059-446172ddca0f"
+"60"	"Glucose, 2-amino-2-deoxy- (5TMS) MP"	"Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--2]"	"1899.495"	"1.49494946"	"0.365909427"	"0.052255787"	"0.8955224"	"240"	"0.833884954"	"4c89b294-311e-4e11-8af3-8e80b969109f"	"2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6"	"539fe164-0ea9-4509-bf37-fc9bc8073646"
+"61"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"62"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"63"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"64"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"65"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"66"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"67"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"68"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"69"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"70"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"71"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"72"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"73"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"74"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"75"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"76"	"Hexadecenoic acid methyl ester, 9-(Z)-, n-"	"Hexadecenoic acid methyl ester, 9-(Z)-, n- [A190014-ambient-n--3]"	"1897.67859"	"0.321411133"	"0.4841707"	"0.070833"	"0.834196866"	"161"	"0.787648559"	"2e42e393-8070-47b8-a933-d3c41043d785"	"75683e89-302c-4280-a15e-e1187cd75ceb"	"75683e89-302c-4280-a15e-e1187cd75ceb"
+"77"	"Glucose (1MEOX) (5TMS) BP"	"Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-18]"	"1899.05493"	"1.054953"	"0.2844056"	"0.07994458"	"0.8876405"	"79"	"0.883293"	"3468acbd-3fed-489b-b93d-b3c9beab9f82"	"68513255-fc44-4041-bc4b-4fd2fae7541d"	"0a2b3536-2245-4c0e-bdbc-495766eeec67"
+"78"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"79"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"80"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"81"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"82"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"83"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"84"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"85"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"86"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"87"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"88"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"89"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"90"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"91"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"92"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"93"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"94"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"95"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"96"	"Nonadecane"	"Nonadecane [A190001-ambient-n--1]"	"1900"	"2"	"0.08678086"	"0.0508967042"	"0.477611929"	"32"	"0.5542277"	"44b956d8-a487-4269-baee-49e6ba5658c3"	"5dff1f48-853a-4ce2-852c-81c871ef1da6"	"5dff1f48-853a-4ce2-852c-81c871ef1da6"
+"97"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"98"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"99"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"100"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"101"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"102"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"103"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"104"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"105"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"106"	"Nonadecane"	"Nonadecane [A190001-ambient-n--1]"	"1900"	"2"	"0.08444913"	"0.0502082668"	"0.477611929"	"32"	"0.5542277"	"44b956d8-a487-4269-baee-49e6ba5658c3"	"5dff1f48-853a-4ce2-852c-81c871ef1da6"	"5dff1f48-853a-4ce2-852c-81c871ef1da6"
+"107"	"Nonadecane"	"Nonadecane [A190001-ambient-n--1]"	"1900"	"2"	"0.09447143"	"0.0523287952"	"0.5072464"	"35"	"0.5783457"	"44b956d8-a487-4269-baee-49e6ba5658c3"	"5dff1f48-853a-4ce2-852c-81c871ef1da6"	"5dff1f48-853a-4ce2-852c-81c871ef1da6"
+"108"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"109"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"110"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"111"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"112"	"Nonadecane"	"Nonadecane [A190001-ambient-n--1]"	"1900"	"2"	"0.0940891653"	"0.0529965349"	"0.522388041"	"35"	"0.5863345"	"44b956d8-a487-4269-baee-49e6ba5658c3"	"5dff1f48-853a-4ce2-852c-81c871ef1da6"	"5dff1f48-853a-4ce2-852c-81c871ef1da6"
+"113"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"114"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"115"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"116"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"117"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"118"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"119"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"120"	"Nonadecane"	"Nonadecane [A190001-ambient-n--1]"	"1900"	"2"	"0.092078425"	"0.05282288"	"0.545454562"	"36"	"0.6008149"	"44b956d8-a487-4269-baee-49e6ba5658c3"	"5dff1f48-853a-4ce2-852c-81c871ef1da6"	"5dff1f48-853a-4ce2-852c-81c871ef1da6"
+"121"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"122"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"123"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"124"	"Nonadecane"	"Nonadecane [A190001-ambient-n--1]"	"1900"	"2"	"0.07481606"	"0.05036009"	"0.5423729"	"32"	"0.5744617"	"44b956d8-a487-4269-baee-49e6ba5658c3"	"5dff1f48-853a-4ce2-852c-81c871ef1da6"	"5dff1f48-853a-4ce2-852c-81c871ef1da6"
+"125"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"126"	"Nonadecane"	"Nonadecane [A190001-ambient-n--1]"	"1900"	"2"	"0.09435291"	"0.05307076"	"0.5671642"	"38"	"0.6182873"	"44b956d8-a487-4269-baee-49e6ba5658c3"	"5dff1f48-853a-4ce2-852c-81c871ef1da6"	"5dff1f48-853a-4ce2-852c-81c871ef1da6"
+"127"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"128"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"129"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"130"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"131"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"132"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"133"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"134"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"135"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"136"	"Nonadecane"	"Nonadecane [A190001-ambient-n--1]"	"1900"	"2"	"0.07581174"	"0.050269857"	"0.6"	"36"	"0.618036032"	"44b956d8-a487-4269-baee-49e6ba5658c3"	"5dff1f48-853a-4ce2-852c-81c871ef1da6"	"5dff1f48-853a-4ce2-852c-81c871ef1da6"
+"137"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"138"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"139"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"140"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"141"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"142"	"Nonadecane"	"Nonadecane [A190001-ambient-n--1]"	"1900"	"2"	"0.0759908259"	"0.0507539362"	"0.6101695"	"36"	"0.6193023"	"44b956d8-a487-4269-baee-49e6ba5658c3"	"5dff1f48-853a-4ce2-852c-81c871ef1da6"	"5dff1f48-853a-4ce2-852c-81c871ef1da6"
+"143"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"144"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"145"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"146"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"147"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"148"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"149"	"Nonadecane"	"Nonadecane [A190001-ambient-n--1]"	"1900"	"2"	"0.06280607"	"0.0465373769"	"0.827586234"	"48"	"0.7647042"	"44b956d8-a487-4269-baee-49e6ba5658c3"	"5dff1f48-853a-4ce2-852c-81c871ef1da6"	"5dff1f48-853a-4ce2-852c-81c871ef1da6"
+"150"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"151"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"152"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"153"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"154"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"155"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"156"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"157"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"158"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"159"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"160"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"161"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"162"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"163"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"164"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"165"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"166"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"167"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"168"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"169"	"Nonadecane"	"Nonadecane [A190001-ambient-n--1]"	"1900"	"2"	"0.110666931"	"0.0607363"	"0.9"	"54"	"0.8493862"	"44b956d8-a487-4269-baee-49e6ba5658c3"	"5dff1f48-853a-4ce2-852c-81c871ef1da6"	"5dff1f48-853a-4ce2-852c-81c871ef1da6"
+"170"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"171"	"Nonadecane"	"Nonadecane [A190001-ambient-n--1]"	"1900"	"2"	"0.126968026"	"0.06616803"	"0.8965517"	"52"	"0.8236299"	"44b956d8-a487-4269-baee-49e6ba5658c3"	"5dff1f48-853a-4ce2-852c-81c871ef1da6"	"5dff1f48-853a-4ce2-852c-81c871ef1da6"
+"172"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"173"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"174"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"175"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"176"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"177"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"178"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"179"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"180"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"181"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"182"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"183"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"184"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"185"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"186"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"187"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"188"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"189"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"190"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"191"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"192"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"193"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"194"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"195"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"196"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"197"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"198"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"199"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"200"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"201"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"202"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"203"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"204"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"205"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"206"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"207"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"208"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"209"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"210"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"211"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"212"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"213"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"214"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"215"	"Glucose (1MEOX) (5TMS) BP"	"Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-24]"	"1899.05493"	"1.054953"	"0.111725941"	"0.04333297"	"0.689075649"	"82"	"0.72035563"	"d87f501a-9d45-4244-9461-f8dd1943930e"	"68513255-fc44-4041-bc4b-4fd2fae7541d"	"0a2b3536-2245-4c0e-bdbc-495766eeec67"
+"215"	"Galactose (1MEOX) (5TMS) BP"	"Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--3]"	"1902.42212"	"4.422119"	"0.121540077"	"0.0373766236"	"0.6436782"	"112"	"0.678422451"	"5a6e8d9a-926f-4589-a67c-46ff9b93f7ca"	"dd3ea070-54a6-4ea7-b99b-a6e975fdd204"	"1c3ad0aa-ee78-4542-93b3-aa9fdf07add1"
+"215"	"Idose (1MEOX) (5TMS) BP"	"Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]"	"1897.25439"	"0.745605469"	"0.12473502"	"0.03924205"	"0.6234568"	"101"	"0.6659031"	"d00de57d-6fab-49d0-9aee-25e259da9180"	"ab025068-f464-4bc6-9c92-994c29387db2"	"6f4e926f-d7ef-47b6-a52c-91ff88ca567a"
+"215"	"Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP"	"Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1]"	"1893.44385"	"4.55619574"	"0.1716096"	"0.0389701054"	"0.654867232"	"148"	"0.663134336"	"2b364030-9fa7-4066-b685-52d7946110a6"	"00ce759f-d1f9-492e-89f7-b7400a34c72d"	"da9d76f5-a2af-4fd1-89e1-c8426ad16980"
+"215"	"Allantoin (5TMS)"	"Allantoin (5TMS) [A188009-ambient-na-6]"	"1896.99829"	"1.001709"	"0.201827526"	"0.04762064"	"0.7247191"	"129"	"0.7480244"	"063fa226-ed62-4d9f-9d5c-ee52c0974e55"	"a999f0d6-0285-41d9-a6ba-b705987b663c"	"65bb54d2-6bf7-4a53-aa22-8abf71240005"
+"215"	"Glucose, U-13C- (1MEOX) (5TMS) BP"	"Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]"	"1901.63"	"3.63"	"0.203410134"	"0.0493563563"	"0.742514968"	"124"	"0.76602006"	"27d4dcdd-d351-4976-8ef9-76a0cc53f631"	"441faccb-2631-4e7d-b6ca-99437265ccb8"	"96441b61-2891-4e81-93dc-d0fc0ad175d4"
+"215"	"Erythrose-4-phosphate (1MEOX) (4TMS) MP"	"Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]"	"1895.98438"	"2.01558065"	"0.21932818"	"0.0323174857"	"0.7952381"	"334"	"0.7466316"	"85927200-53a4-492a-ad57-0a7b1d8a6e85"	"d4f07f67-d45b-43b6-bd4c-d08708d1a7ad"	"2665f816-5c52-45ed-901e-4481cf048257"
+"216"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"217"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"218"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"219"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"220"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"221"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"222"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"223"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"224"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"225"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"226"	"Glucose (1MEOX) (5TMS) BP"	"Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-20]"	"1899.05493"	"1.054953"	"0.186731711"	"0.04020852"	"0.5974026"	"138"	"0.6166982"	"8d439b60-424f-46f7-b996-c0c2114f797e"	"68513255-fc44-4041-bc4b-4fd2fae7541d"	"0a2b3536-2245-4c0e-bdbc-495766eeec67"
+"226"	"Galactose (1MEOX) (5TMS) BP"	"Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--7]"	"1902.42212"	"4.422119"	"0.232166454"	"0.0416243374"	"0.4067164"	"109"	"0.504510641"	"39e48209-b3a4-41cf-b83d-78d92a054d12"	"dd3ea070-54a6-4ea7-b99b-a6e975fdd204"	"1c3ad0aa-ee78-4542-93b3-aa9fdf07add1"
+"226"	"Idose (1MEOX) (5TMS) BP"	"Idose (1MEOX) (5TMS) BP [A191005-ambient-na-2]"	"1897.25439"	"0.745605469"	"0.2555795"	"0.04512749"	"0.334661365"	"84"	"0.446271449"	"c1f0e928-1960-4643-b93b-81a20351ccd9"	"ab025068-f464-4bc6-9c92-994c29387db2"	"6f4e926f-d7ef-47b6-a52c-91ff88ca567a"
+"226"	"Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP"	"Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2]"	"1893.44385"	"4.55619574"	"0.29649204"	"0.0328352377"	"0.6"	"330"	"0.608352542"	"8bf796f1-f7cf-4df5-afbc-979b0d95a383"	"00ce759f-d1f9-492e-89f7-b7400a34c72d"	"da9d76f5-a2af-4fd1-89e1-c8426ad16980"
+"226"	"Galactose_3_5TMS"	"Galactose_3_5TMS [A190022-ambient-na-1]"	"1896.3114"	"1.68858171"	"0.363172352"	"0.0492873862"	"0.408026755"	"122"	"0.504798055"	"ef78eeb1-ec7f-453d-90bd-cd1bf3b04153"	"f01236e3-4d1e-493a-bd99-3aca2801f86e"	"17441428-6e9c-4caf-84d5-561b494df795"
+"226"	"Glucose, 2-amino-2-deoxy- (5TMS) MP"	"Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--8]"	"1899.495"	"1.49494946"	"0.400953531"	"0.05295159"	"0.2972028"	"85"	"0.414242685"	"11e07008-ff9d-4d76-9b09-590beaa90f22"	"2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6"	"539fe164-0ea9-4509-bf37-fc9bc8073646"
+"226"	"Glucose, U-13C- (1MEOX) (5TMS) BP"	"Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-7]"	"1901.63"	"3.63"	"0.453271121"	"0.0621097945"	"0.7617021"	"179"	"0.738404453"	"6c360eba-d726-44d9-a666-d0695d8448cf"	"441faccb-2631-4e7d-b6ca-99437265ccb8"	"96441b61-2891-4e81-93dc-d0fc0ad175d4"
+"226"	"Erythrose-4-phosphate (1MEOX) (4TMS) MP"	"Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-5]"	"1895.98438"	"2.01558065"	"0.483825535"	"0.0507976674"	"0.461333334"	"173"	"0.5301436"	"1b34c722-1fd3-4d61-a48b-da2614f96e23"	"d4f07f67-d45b-43b6-bd4c-d08708d1a7ad"	"2665f816-5c52-45ed-901e-4481cf048257"
+"227"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"228"	"Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP"	"Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2]"	"1893.44385"	"4.55619574"	"0.49236843"	"0.0423520021"	"0.5974499"	"328"	"0.6059947"	"8bf796f1-f7cf-4df5-afbc-979b0d95a383"	"00ce759f-d1f9-492e-89f7-b7400a34c72d"	"da9d76f5-a2af-4fd1-89e1-c8426ad16980"
+"229"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"230"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"231"	"Glucose (1MEOX) (5TMS) BP"	"Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-24]"	"1899.05493"	"1.054953"	"0.191139191"	"0.0709223449"	"0.8947368"	"68"	"0.878837764"	"d87f501a-9d45-4244-9461-f8dd1943930e"	"68513255-fc44-4041-bc4b-4fd2fae7541d"	"0a2b3536-2245-4c0e-bdbc-495766eeec67"
+"231"	"Glucose, U-13C- (1MEOX) (5TMS) BP"	"Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]"	"1901.63"	"3.63"	"0.193600208"	"0.0558800921"	"0.887096763"	"110"	"0.8399839"	"27d4dcdd-d351-4976-8ef9-76a0cc53f631"	"441faccb-2631-4e7d-b6ca-99437265ccb8"	"96441b61-2891-4e81-93dc-d0fc0ad175d4"
+"231"	"Galactose (1MEOX) (5TMS) BP"	"Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--10]"	"1902.42212"	"4.422119"	"0.216909975"	"0.06141944"	"0.8869565"	"102"	"0.845184863"	"314b38dc-9bfb-4a7f-aaaa-bd80ef4ec82d"	"dd3ea070-54a6-4ea7-b99b-a6e975fdd204"	"1c3ad0aa-ee78-4542-93b3-aa9fdf07add1"
+"231"	"Allantoin (5TMS)"	"Allantoin (5TMS) [A188009-ambient-na-2]"	"1896.99829"	"1.001709"	"0.242943108"	"0.08852613"	"0.887096763"	"55"	"0.8791416"	"bb9eafcc-28ff-4a63-8786-2e5e1053b337"	"a999f0d6-0285-41d9-a6ba-b705987b663c"	"65bb54d2-6bf7-4a53-aa22-8abf71240005"
+"232"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"233"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"234"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"235"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"236"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"237"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"238"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"239"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"240"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"241"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"242"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"243"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"244"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"245"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"246"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"247"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"248"	"Nonadecane"	"Nonadecane [A190001-ambient-n--1]"	"1900"	"2"	"0.05944854"	"0.04527639"	"0.7586207"	"44"	"0.7132295"	"44b956d8-a487-4269-baee-49e6ba5658c3"	"5dff1f48-853a-4ce2-852c-81c871ef1da6"	"5dff1f48-853a-4ce2-852c-81c871ef1da6"
+"249"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"250"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"251"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"252"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"253"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"254"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"255"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"256"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"257"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"258"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"259"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"260"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"261"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"262"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"263"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"264"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"265"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"266"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"267"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"268"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"269"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"270"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"271"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"272"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"273"	""	"no results"	""	""	""	""	""	""	""	""	""	""
+"274"	""	"no results"	""	""	""	""	""	""	""	""	""	""
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/output03.txt	Mon Dec 05 08:32:04 2016 -0500
@@ -0,0 +1,412 @@
+Num Spectre	Analyte Name	Spectrum Name	Retention Index	RI Discrepancy	DotproductDistance	EuclideanDistance	JaccardDistance	HammingDistance	s12GowerLegendreDistance	Spectrum ID	Metabolite ID	Analyte ID
+1	Erythrose-4-phosphate (1MEOX) (4TMS) MP	Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-5]	1895.98438	2.01558065	0.417125851	0.047484044	0.6108108	226	0.628439844	1b34c722-1fd3-4d61-a48b-da2614f96e23	d4f07f67-d45b-43b6-bd4c-d08708d1a7ad	2665f816-5c52-45ed-901e-4481cf048257
+2	Glucose (1MEOX) (5TMS) BP	Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-2]	1899.05493	1.054953	0.4496568	0.07338332	0.7784431	130	0.796108663	34a5b91e-e473-4ed6-9a40-067e0cd944f9	68513255-fc44-4041-bc4b-4fd2fae7541d	0a2b3536-2245-4c0e-bdbc-495766eeec67
+2	Galactose (1MEOX) (5TMS) BP	Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--8]	1902.42212	4.422119	0.4884424	0.0594931729	0.75	207	0.7356502	9c570b75-fe0c-43b8-9311-7b8af17dd55b	dd3ea070-54a6-4ea7-b99b-a6e975fdd204	1c3ad0aa-ee78-4542-93b3-aa9fdf07add1
+3	Galactose (1MEOX) (5TMS) BP	Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--2]	1902.42212	4.422119	0.38635543	0.0406771079	0.8201285	383	0.7784506	0bfc9541-70d5-4d50-89c4-351a87971133	dd3ea070-54a6-4ea7-b99b-a6e975fdd204	1c3ad0aa-ee78-4542-93b3-aa9fdf07add1
+3	Glucose (1MEOX) (5TMS) BP	Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-2]	1899.05493	1.054953	0.397179246	0.06756685	0.75287354	131	0.776361	34a5b91e-e473-4ed6-9a40-067e0cd944f9	68513255-fc44-4041-bc4b-4fd2fae7541d	0a2b3536-2245-4c0e-bdbc-495766eeec67
+3	Idose (1MEOX) (5TMS) BP	Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]	1897.25439	0.745605469	0.432195932	0.07130679	0.629411757	107	0.6740747	d00de57d-6fab-49d0-9aee-25e259da9180	ab025068-f464-4bc6-9c92-994c29387db2	6f4e926f-d7ef-47b6-a52c-91ff88ca567a
+3	Glucose, U-13C- (1MEOX) (5TMS) BP	Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-10]	1901.63	3.63	0.442519277	0.050286	0.76	266	0.7361843	0d5164ce-be48-454d-979b-ed8b92e32c1d	441faccb-2631-4e7d-b6ca-99437265ccb8	96441b61-2891-4e81-93dc-d0fc0ad175d4
+3	Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS)	Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) [A189024-ambient-na-2]	1897.83862	0.161383286	0.444237381	0.04988712	0.717086852	256	0.6841814	c1d0193b-0442-41fe-aab0-fc2438624170	151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff	471f9ab0-1cf5-40d3-ba88-edc2458d3242
+3	Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP	Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-1]	1902.77417	4.77417	0.4479848	0.0491427779	0.7304582	271	0.6947696	7508f46a-70b0-43eb-b5b6-0421ff41c0e8	87e988c4-f26c-4e03-9a40-1b0c0b36ca67	163bf790-e995-46a9-8059-446172ddca0f
+3	Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP	Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1]	1893.44385	4.55619574	0.452163756	0.06325701	0.6106195	138	0.63247633	2b364030-9fa7-4066-b685-52d7946110a6	00ce759f-d1f9-492e-89f7-b7400a34c72d	da9d76f5-a2af-4fd1-89e1-c8426ad16980
+3	Glucose, 2-amino-2-deoxy- (5TMS) MP	Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--3]	1899.495	1.49494946	0.474485427	0.0493914336	0.7429306	289	0.7034532	754097ce-c7df-40cb-bec1-ba8b0fad83f8	2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6	539fe164-0ea9-4509-bf37-fc9bc8073646
+4	Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP	Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1]	1893.44385	4.55619574	0.40254572	0.05791846	0.445833325	107	0.528728	2b364030-9fa7-4066-b685-52d7946110a6	00ce759f-d1f9-492e-89f7-b7400a34c72d	da9d76f5-a2af-4fd1-89e1-c8426ad16980
+4	Galactose (1MEOX) (5TMS) BP	Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--2]	1902.42212	4.422119	0.403359115	0.0413857177	0.7048832	332	0.694246054	0bfc9541-70d5-4d50-89c4-351a87971133	dd3ea070-54a6-4ea7-b99b-a6e975fdd204	1c3ad0aa-ee78-4542-93b3-aa9fdf07add1
+4	Glucose (1MEOX) (5TMS) BP	Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-12]	1899.05493	1.054953	0.410697162	0.06408566	0.56	112	0.6205492	833ab58c-a8fa-4389-8b42-95e618cafb91	68513255-fc44-4041-bc4b-4fd2fae7541d	0a2b3536-2245-4c0e-bdbc-495766eeec67
+4	Glucose, U-13C- (1MEOX) (5TMS) BP	Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-10]	1901.63	3.63	0.4170415	0.04813416	0.63055557	227	0.651003	0d5164ce-be48-454d-979b-ed8b92e32c1d	441faccb-2631-4e7d-b6ca-99437265ccb8	96441b61-2891-4e81-93dc-d0fc0ad175d4
+4	Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS)	Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) [A189024-ambient-na-2]	1897.83862	0.161383286	0.418162525	0.0484009	0.551820755	197	0.5749244	c1d0193b-0442-41fe-aab0-fc2438624170	151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff	471f9ab0-1cf5-40d3-ba88-edc2458d3242
+4	Idose (1MEOX) (5TMS) BP	Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]	1897.25439	0.745605469	0.4213545	0.06334745	0.609523833	128	0.6601182	d00de57d-6fab-49d0-9aee-25e259da9180	ab025068-f464-4bc6-9c92-994c29387db2	6f4e926f-d7ef-47b6-a52c-91ff88ca567a
+4	Erythrose-4-phosphate (1MEOX) (4TMS) MP	Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]	1895.98438	2.01558065	0.423168719	0.0451050438	0.617788434	257	0.6188379	85927200-53a4-492a-ad57-0a7b1d8a6e85	d4f07f67-d45b-43b6-bd4c-d08708d1a7ad	2665f816-5c52-45ed-901e-4481cf048257
+4	Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP	Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-5]	1902.77417	4.77417	0.445822567	0.0513614975	0.5473373	185	0.578929663	7e14465a-7065-490c-9e50-e625c1c14f4d	87e988c4-f26c-4e03-9a40-1b0c0b36ca67	163bf790-e995-46a9-8059-446172ddca0f
+5	Glucose (1MEOX) (5TMS) BP	Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-20]	1899.05493	1.054953	0.354763538	0.06923945	0.6554054	97	0.6981253	8d439b60-424f-46f7-b996-c0c2114f797e	68513255-fc44-4041-bc4b-4fd2fae7541d	0a2b3536-2245-4c0e-bdbc-495766eeec67
+5	Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP	Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2]	1893.44385	4.55619574	0.402286351	0.0382821634	0.8251366	453	0.7650924	8bf796f1-f7cf-4df5-afbc-979b0d95a383	00ce759f-d1f9-492e-89f7-b7400a34c72d	da9d76f5-a2af-4fd1-89e1-c8426ad16980
+5	Galactose (1MEOX) (5TMS) BP	Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--17]	1902.42212	4.422119	0.411938727	0.0459032	0.7672634	300	0.728630841	1f3b3037-bb9d-45fa-9a9c-70cc299da470	dd3ea070-54a6-4ea7-b99b-a6e975fdd204	1c3ad0aa-ee78-4542-93b3-aa9fdf07add1
+5	Glucose, U-13C- (1MEOX) (5TMS) BP	Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-7]	1901.63	3.63	0.411938757	0.0815118	0.661290348	82	0.696781337	6c360eba-d726-44d9-a666-d0695d8448cf	441faccb-2631-4e7d-b6ca-99437265ccb8	96441b61-2891-4e81-93dc-d0fc0ad175d4
+5	Idose (1MEOX) (5TMS) BP	Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]	1897.25439	0.745605469	0.424958557	0.0713395	0.6227545	104	0.6678984	d00de57d-6fab-49d0-9aee-25e259da9180	ab025068-f464-4bc6-9c92-994c29387db2	6f4e926f-d7ef-47b6-a52c-91ff88ca567a
+5	Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS)	Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) [A189024-ambient-na-2]	1897.83862	0.161383286	0.484940231	0.0521224737	0.7254902	259	0.6899733	c1d0193b-0442-41fe-aab0-fc2438624170	151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff	471f9ab0-1cf5-40d3-ba88-edc2458d3242
+5	Erythrose-4-phosphate (1MEOX) (4TMS) MP	Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]	1895.98438	2.01558065	0.488564819	0.0484651364	0.7668269	319	0.720424533	85927200-53a4-492a-ad57-0a7b1d8a6e85	d4f07f67-d45b-43b6-bd4c-d08708d1a7ad	2665f816-5c52-45ed-901e-4481cf048257
+6	Glucose (1MEOX) (5TMS) BP	Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-20]	1899.05493	1.054953	0.315586	0.05261462	0.578947365	132	0.6002723	8d439b60-424f-46f7-b996-c0c2114f797e	68513255-fc44-4041-bc4b-4fd2fae7541d	0a2b3536-2245-4c0e-bdbc-495766eeec67
+6	Galactose (1MEOX) (5TMS) BP	Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--1]	1902.42212	4.422119	0.31916222	0.0516799167	0.556485355	133	0.5977888	c3592e5c-0d20-406b-ac62-32bd60255caf	dd3ea070-54a6-4ea7-b99b-a6e975fdd204	1c3ad0aa-ee78-4542-93b3-aa9fdf07add1
+6	Idose (1MEOX) (5TMS) BP	Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]	1897.25439	0.745605469	0.356775373	0.05557845	0.46320346	107	0.5265545	d00de57d-6fab-49d0-9aee-25e259da9180	ab025068-f464-4bc6-9c92-994c29387db2	6f4e926f-d7ef-47b6-a52c-91ff88ca567a
+6	Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP	Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2]	1893.44385	4.55619574	0.375095934	0.03693217	0.6	330	0.608352542	8bf796f1-f7cf-4df5-afbc-979b0d95a383	00ce759f-d1f9-492e-89f7-b7400a34c72d	da9d76f5-a2af-4fd1-89e1-c8426ad16980
+6	Glucose, 2-amino-2-deoxy- (5TMS) MP	Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--8]	1899.495	1.49494946	0.386559725	0.05199245	0.2972028	85	0.414242685	11e07008-ff9d-4d76-9b09-590beaa90f22	2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6	539fe164-0ea9-4509-bf37-fc9bc8073646
+6	Galactose_3_5TMS	Galactose_3_5TMS [A190022-ambient-na-1]	1896.3114	1.68858171	0.389454484	0.0513845235	0.386440665	114	0.4878328	ef78eeb1-ec7f-453d-90bd-cd1bf3b04153	f01236e3-4d1e-493a-bd99-3aca2801f86e	17441428-6e9c-4caf-84d5-561b494df795
+6	Glucose, U-13C- (1MEOX) (5TMS) BP	Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]	1901.63	3.63	0.453840375	0.06162652	0.5690377	136	0.606397	27d4dcdd-d351-4976-8ef9-76a0cc53f631	441faccb-2631-4e7d-b6ca-99437265ccb8	96441b61-2891-4e81-93dc-d0fc0ad175d4
+6	Erythrose-4-phosphate (1MEOX) (4TMS) MP	Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]	1895.98438	2.01558065	0.468880624	0.04719599	0.484560579	204	0.5354268	85927200-53a4-492a-ad57-0a7b1d8a6e85	d4f07f67-d45b-43b6-bd4c-d08708d1a7ad	2665f816-5c52-45ed-901e-4481cf048257
+7	Galactose (1MEOX) (5TMS) BP	Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--2]	1902.42212	4.422119	0.311034173	0.0363806225	0.568085134	267	0.5993147	0bfc9541-70d5-4d50-89c4-351a87971133	dd3ea070-54a6-4ea7-b99b-a6e975fdd204	1c3ad0aa-ee78-4542-93b3-aa9fdf07add1
+7	Glucose (1MEOX) (5TMS) BP	Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-26]	1899.05493	1.054953	0.3122851	0.0344914123	0.586666644	308	0.6017828	28f50103-c931-4a74-b5d2-1a77ac420ea5	68513255-fc44-4041-bc4b-4fd2fae7541d	0a2b3536-2245-4c0e-bdbc-495766eeec67
+7	Idose (1MEOX) (5TMS) BP	Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]	1897.25439	0.745605469	0.3334442	0.051751975	0.5742972	143	0.6182019	d00de57d-6fab-49d0-9aee-25e259da9180	ab025068-f464-4bc6-9c92-994c29387db2	6f4e926f-d7ef-47b6-a52c-91ff88ca567a
+7	Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP	Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2]	1893.44385	4.55619574	0.3596541	0.0359038	0.6200717	346	0.6268959	8bf796f1-f7cf-4df5-afbc-979b0d95a383	00ce759f-d1f9-492e-89f7-b7400a34c72d	da9d76f5-a2af-4fd1-89e1-c8426ad16980
+7	Glucose, 2-amino-2-deoxy- (5TMS) MP	Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--8]	1899.495	1.49494946	0.376751959	0.04970417	0.403278679	123	0.499903738	11e07008-ff9d-4d76-9b09-590beaa90f22	2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6	539fe164-0ea9-4509-bf37-fc9bc8073646
+7	Galactose_3_5TMS	Galactose_3_5TMS [A190022-ambient-na-1]	1896.3114	1.68858171	0.405417144	0.0507353619	0.4888889	154	0.5676107	ef78eeb1-ec7f-453d-90bd-cd1bf3b04153	f01236e3-4d1e-493a-bd99-3aca2801f86e	17441428-6e9c-4caf-84d5-561b494df795
+7	Glucose, U-13C- (1MEOX) (5TMS) BP	Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]	1901.63	3.63	0.4187165	0.0568623953	0.6795367	176	0.700350344	27d4dcdd-d351-4976-8ef9-76a0cc53f631	441faccb-2631-4e7d-b6ca-99437265ccb8	96441b61-2891-4e81-93dc-d0fc0ad175d4
+7	Erythrose-4-phosphate (1MEOX) (4TMS) MP	Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]	1895.98438	2.01558065	0.432310849	0.0449986123	0.5058548	216	0.553538561	85927200-53a4-492a-ad57-0a7b1d8a6e85	d4f07f67-d45b-43b6-bd4c-d08708d1a7ad	2665f816-5c52-45ed-901e-4481cf048257
+8		no results
+9	Glucose (1MEOX) (5TMS) BP	Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-4]	1899.05493	1.054953	0.128620371	0.06717883	0.8596491	49	0.802279055	62f9b835-3d55-4a27-81a1-0dab814aceb0	68513255-fc44-4041-bc4b-4fd2fae7541d	0a2b3536-2245-4c0e-bdbc-495766eeec67
+9	Galactose (1MEOX) (5TMS) BP	Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--11]	1902.42212	4.422119	0.203193992	0.08926585	0.843137264	43	0.789225161	5cf7c784-d01f-4163-ac19-ef2429eb410b	dd3ea070-54a6-4ea7-b99b-a6e975fdd204	1c3ad0aa-ee78-4542-93b3-aa9fdf07add1
+10	Glucose (1MEOX) (5TMS) BP	Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-4]	1899.05493	1.054953	0.145974338	0.072203666	0.839285731	47	0.774020731	62f9b835-3d55-4a27-81a1-0dab814aceb0	68513255-fc44-4041-bc4b-4fd2fae7541d	0a2b3536-2245-4c0e-bdbc-495766eeec67
+10	Galactose (1MEOX) (5TMS) BP	Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--11]	1902.42212	4.422119	0.231892109	0.09631036	0.82	41	0.7587727	5cf7c784-d01f-4163-ac19-ef2429eb410b	dd3ea070-54a6-4ea7-b99b-a6e975fdd204	1c3ad0aa-ee78-4542-93b3-aa9fdf07add1
+11		no results
+13	Glucose (1MEOX) (5TMS) BP	Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-20]	1899.05493	1.054953	0.169009715	0.0388460457	0.5535714	124	0.577645063	8d439b60-424f-46f7-b996-c0c2114f797e	68513255-fc44-4041-bc4b-4fd2fae7541d	0a2b3536-2245-4c0e-bdbc-495766eeec67
+13	Galactose (1MEOX) (5TMS) BP	Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--17]	1902.42212	4.422119	0.173254281	0.0297313016	0.4515306	177	0.5150558	1f3b3037-bb9d-45fa-9a9c-70cc299da470	dd3ea070-54a6-4ea7-b99b-a6e975fdd204	1c3ad0aa-ee78-4542-93b3-aa9fdf07add1
+13	Idose (1MEOX) (5TMS) BP	Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]	1897.25439	0.745605469	0.198374733	0.04144309	0.46320346	107	0.5265545	d00de57d-6fab-49d0-9aee-25e259da9180	ab025068-f464-4bc6-9c92-994c29387db2	6f4e926f-d7ef-47b6-a52c-91ff88ca567a
+13	Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP	Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2]	1893.44385	4.55619574	0.2139774	0.0279198289	0.5974499	328	0.6059947	8bf796f1-f7cf-4df5-afbc-979b0d95a383	00ce759f-d1f9-492e-89f7-b7400a34c72d	da9d76f5-a2af-4fd1-89e1-c8426ad16980
+13	Glucose, 2-amino-2-deoxy- (5TMS) MP	Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--3]	1899.495	1.49494946	0.295577049	0.03858825	0.46095717	183	0.5219953	754097ce-c7df-40cb-bec1-ba8b0fad83f8	2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6	539fe164-0ea9-4509-bf37-fc9bc8073646
+13	Glucose, U-13C- (1MEOX) (5TMS) BP	Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]	1901.63	3.63	0.298371822	0.04895468	0.626506031	156	0.6550603	27d4dcdd-d351-4976-8ef9-76a0cc53f631	441faccb-2631-4e7d-b6ca-99437265ccb8	96441b61-2891-4e81-93dc-d0fc0ad175d4
+13	Galactose_3_5TMS	Galactose_3_5TMS [A190022-ambient-na-1]	1896.3114	1.68858171	0.3004605	0.045287136	0.37542662	110	0.479125	ef78eeb1-ec7f-453d-90bd-cd1bf3b04153	f01236e3-4d1e-493a-bd99-3aca2801f86e	17441428-6e9c-4caf-84d5-561b494df795
+13	Erythrose-4-phosphate (1MEOX) (4TMS) MP	Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]	1895.98438	2.01558065	0.303167731	0.03795032	0.484560579	204	0.5354268	85927200-53a4-492a-ad57-0a7b1d8a6e85	d4f07f67-d45b-43b6-bd4c-d08708d1a7ad	2665f816-5c52-45ed-901e-4481cf048257
+14		no results
+15		no results
+16		no results
+17		no results
+18	Allantoin (5TMS)	Allantoin (5TMS) [A188009-ambient-na-5]	1896.99829	1.001709	0.209903836	0.0601583831	0.8103448	94	0.783262	817f2a03-9df5-46e3-973c-b2a9675109cf	a999f0d6-0285-41d9-a6ba-b705987b663c	65bb54d2-6bf7-4a53-aa22-8abf71240005
+18	Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP	Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1]	1893.44385	4.55619574	0.240307823	0.0475017	0.85915494	183	0.7903839	2b364030-9fa7-4066-b685-52d7946110a6	00ce759f-d1f9-492e-89f7-b7400a34c72d	da9d76f5-a2af-4fd1-89e1-c8426ad16980
+18	Galactose (1MEOX) (5TMS) BP	Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--6]	1902.42212	4.422119	0.266967148	0.0622020029	0.847826064	117	0.813898	6e056b61-4da9-46e3-970b-680a22e4afd0	dd3ea070-54a6-4ea7-b99b-a6e975fdd204	1c3ad0aa-ee78-4542-93b3-aa9fdf07add1
+18	Glucose (1MEOX) (5TMS) BP	Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-12]	1899.05493	1.054953	0.268232971	0.0625764355	0.846715331	116	0.813089132	833ab58c-a8fa-4389-8b42-95e618cafb91	68513255-fc44-4041-bc4b-4fd2fae7541d	0a2b3536-2245-4c0e-bdbc-495766eeec67
+18	Glucose, U-13C- (1MEOX) (5TMS) BP	Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]	1901.63	3.63	0.280021936	0.06640628	0.8267717	105	0.794855952	27d4dcdd-d351-4976-8ef9-76a0cc53f631	441faccb-2631-4e7d-b6ca-99437265ccb8	96441b61-2891-4e81-93dc-d0fc0ad175d4
+18	Idose (1MEOX) (5TMS) BP	Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]	1897.25439	0.745605469	0.289705932	0.063654	0.867132843	124	0.835505962	d00de57d-6fab-49d0-9aee-25e259da9180	ab025068-f464-4bc6-9c92-994c29387db2	6f4e926f-d7ef-47b6-a52c-91ff88ca567a
+18	Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP	Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-3]	1902.77417	4.77417	0.452285469	0.08009617	0.8865248	125	0.8606896	6754fc3e-ad28-4576-b723-60aa4fa0790b	87e988c4-f26c-4e03-9a40-1b0c0b36ca67	163bf790-e995-46a9-8059-446172ddca0f
+18	Glucose, 2-amino-2-deoxy- (5TMS) MP	Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--2]	1899.495	1.49494946	0.4736493	0.0596764	0.8947368	238	0.8278728	4c89b294-311e-4e11-8af3-8e80b969109f	2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6	539fe164-0ea9-4509-bf37-fc9bc8073646
+19	Glucose (1MEOX) (5TMS) BP	Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-26]	1899.05493	1.054953	0.189724684	0.0268077236	0.6041667	319	0.6153477	28f50103-c931-4a74-b5d2-1a77ac420ea5	68513255-fc44-4041-bc4b-4fd2fae7541d	0a2b3536-2245-4c0e-bdbc-495766eeec67
+19	Galactose (1MEOX) (5TMS) BP	Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--17]	1902.42212	4.422119	0.195334315	0.031528838	0.468193382	184	0.5269175	1f3b3037-bb9d-45fa-9a9c-70cc299da470	dd3ea070-54a6-4ea7-b99b-a6e975fdd204	1c3ad0aa-ee78-4542-93b3-aa9fdf07add1
+19	Idose (1MEOX) (5TMS) BP	Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]	1897.25439	0.745605469	0.205342725	0.0421646647	0.4848485	112	0.546345532	d00de57d-6fab-49d0-9aee-25e259da9180	ab025068-f464-4bc6-9c92-994c29387db2	6f4e926f-d7ef-47b6-a52c-91ff88ca567a
+19	Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP	Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2]	1893.44385	4.55619574	0.221429184	0.02832454	0.614130437	339	0.61901623	8bf796f1-f7cf-4df5-afbc-979b0d95a383	00ce759f-d1f9-492e-89f7-b7400a34c72d	da9d76f5-a2af-4fd1-89e1-c8426ad16980
+19	Glucose, U-13C- (1MEOX) (5TMS) BP	Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]	1901.63	3.63	0.293066233	0.04851748	0.646586359	161	0.6735261	27d4dcdd-d351-4976-8ef9-76a0cc53f631	441faccb-2631-4e7d-b6ca-99437265ccb8	96441b61-2891-4e81-93dc-d0fc0ad175d4
+19	Glucose, 2-amino-2-deoxy- (5TMS) MP	Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--3]	1899.495	1.49494946	0.294312984	0.0385056473	0.473551631	188	0.530448139	754097ce-c7df-40cb-bec1-ba8b0fad83f8	2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6	539fe164-0ea9-4509-bf37-fc9bc8073646
+19	Erythrose-4-phosphate (1MEOX) (4TMS) MP	Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]	1895.98438	2.01558065	0.2977491	0.03747635	0.5070755	215	0.5523996	85927200-53a4-492a-ad57-0a7b1d8a6e85	d4f07f67-d45b-43b6-bd4c-d08708d1a7ad	2665f816-5c52-45ed-901e-4481cf048257
+19	Allantoin (5TMS)	Allantoin (5TMS) [A188009-ambient-na-6]	1896.99829	1.001709	0.303958982	0.04892216	0.6062992	154	0.6474817	063fa226-ed62-4d9f-9d5c-ee52c0974e55	a999f0d6-0285-41d9-a6ba-b705987b663c	65bb54d2-6bf7-4a53-aa22-8abf71240005
+20		no results
+21		no results
+22		no results
+23	Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP	Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2]	1893.44385	4.55619574	0.31787312	0.0340916663	0.892138958	488	0.8194986	8bf796f1-f7cf-4df5-afbc-979b0d95a383	00ce759f-d1f9-492e-89f7-b7400a34c72d	da9d76f5-a2af-4fd1-89e1-c8426ad16980
+23	Allantoin (5TMS)	Allantoin (5TMS) [A188009-ambient-na-5]	1896.99829	1.001709	0.40171	0.07521893	0.8239437	117	0.8287425	817f2a03-9df5-46e3-973c-b2a9675109cf	a999f0d6-0285-41d9-a6ba-b705987b663c	65bb54d2-6bf7-4a53-aa22-8abf71240005
+23	Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP	Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-5]	1902.77417	4.77417	0.4068263	0.0493567176	0.832335353	278	0.7741276	7e14465a-7065-490c-9e50-e625c1c14f4d	87e988c4-f26c-4e03-9a40-1b0c0b36ca67	163bf790-e995-46a9-8059-446172ddca0f
+23	Erythrose-4-phosphate (1MEOX) (4TMS) MP	Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]	1895.98438	2.01558065	0.412308335	0.0445760936	0.8578313	356	0.789270163	85927200-53a4-492a-ad57-0a7b1d8a6e85	d4f07f67-d45b-43b6-bd4c-d08708d1a7ad	2665f816-5c52-45ed-901e-4481cf048257
+23	Galactose (1MEOX) (5TMS) BP	Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--6]	1902.42212	4.422119	0.412312329	0.073175855	0.77922076	120	0.7812011	6e056b61-4da9-46e3-970b-680a22e4afd0	dd3ea070-54a6-4ea7-b99b-a6e975fdd204	1c3ad0aa-ee78-4542-93b3-aa9fdf07add1
+23	Glucose (1MEOX) (5TMS) BP	Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-12]	1899.05493	1.054953	0.413312733	0.0737450048	0.7697368	117	0.7728186	833ab58c-a8fa-4389-8b42-95e618cafb91	68513255-fc44-4041-bc4b-4fd2fae7541d	0a2b3536-2245-4c0e-bdbc-495766eeec67
+23	Glucose, U-13C- (1MEOX) (5TMS) BP	Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]	1901.63	3.63	0.424154133	0.07648792	0.7724138	112	0.7785659	27d4dcdd-d351-4976-8ef9-76a0cc53f631	441faccb-2631-4e7d-b6ca-99437265ccb8	96441b61-2891-4e81-93dc-d0fc0ad175d4
+23	Idose (1MEOX) (5TMS) BP	Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]	1897.25439	0.745605469	0.43131122	0.07297143	0.820987642	133	0.819381952	d00de57d-6fab-49d0-9aee-25e259da9180	ab025068-f464-4bc6-9c92-994c29387db2	6f4e926f-d7ef-47b6-a52c-91ff88ca567a
+23	Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS)	Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) [A189024-ambient-na-2]	1897.83862	0.161383286	0.437627643	0.0495146	0.8347339	298	0.7703705	c1d0193b-0442-41fe-aab0-fc2438624170	151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff	471f9ab0-1cf5-40d3-ba88-edc2458d3242
+24	Galactose_3_5TMS	Galactose_3_5TMS [A190022-ambient-na-1]	1896.3114	1.68858171	0.232288077	0.0416352376	0.5074627	136	0.5617198	ef78eeb1-ec7f-453d-90bd-cd1bf3b04153	f01236e3-4d1e-493a-bd99-3aca2801f86e	17441428-6e9c-4caf-84d5-561b494df795
+24	Galactose (1MEOX) (5TMS) BP	Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--2]	1902.42212	4.422119	0.235254377	0.03180954	0.716129	333	0.6976916	0bfc9541-70d5-4d50-89c4-351a87971133	dd3ea070-54a6-4ea7-b99b-a6e975fdd204	1c3ad0aa-ee78-4542-93b3-aa9fdf07add1
+24	Glucose (1MEOX) (5TMS) BP	Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-20]	1899.05493	1.054953	0.239975646	0.0519264452	0.606741548	108	0.65231514	8d439b60-424f-46f7-b996-c0c2114f797e	68513255-fc44-4041-bc4b-4fd2fae7541d	0a2b3536-2245-4c0e-bdbc-495766eeec67
+24	Idose (1MEOX) (5TMS) BP	Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]	1897.25439	0.745605469	0.2622103	0.0521268174	0.55440414	107	0.6185626	d00de57d-6fab-49d0-9aee-25e259da9180	ab025068-f464-4bc6-9c92-994c29387db2	6f4e926f-d7ef-47b6-a52c-91ff88ca567a
+24	Glucose, 2-amino-2-deoxy- (5TMS) MP	Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--8]	1899.495	1.49494946	0.2700426	0.04423608	0.510869563	141	0.560991943	11e07008-ff9d-4d76-9b09-590beaa90f22	2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6	539fe164-0ea9-4509-bf37-fc9bc8073646
+24	Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP	Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2]	1893.44385	4.55619574	0.286982745	0.03230439	0.7381818	406	0.701555133	8bf796f1-f7cf-4df5-afbc-979b0d95a383	00ce759f-d1f9-492e-89f7-b7400a34c72d	da9d76f5-a2af-4fd1-89e1-c8426ad16980
+24	Glucose, U-13C- (1MEOX) (5TMS) BP	Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-7]	1901.63	3.63	0.3181354	0.0596203469	0.798882663	143	0.799955	6c360eba-d726-44d9-a666-d0695d8448cf	441faccb-2631-4e7d-b6ca-99437265ccb8	96441b61-2891-4e81-93dc-d0fc0ad175d4
+24	Erythrose-4-phosphate (1MEOX) (4TMS) MP	Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]	1895.98438	2.01558065	0.35163945	0.0409691334	0.6587112	276	0.648871064	85927200-53a4-492a-ad57-0a7b1d8a6e85	d4f07f67-d45b-43b6-bd4c-d08708d1a7ad	2665f816-5c52-45ed-901e-4481cf048257
+25		no results
+26	Galactose_3_5TMS	Galactose_3_5TMS [A190022-ambient-na-1]	1896.3114	1.68858171	0.19449544	0.03802713	0.583643138	157	0.614511251	ef78eeb1-ec7f-453d-90bd-cd1bf3b04153	f01236e3-4d1e-493a-bd99-3aca2801f86e	17441428-6e9c-4caf-84d5-561b494df795
+26	Galactose (1MEOX) (5TMS) BP	Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--17]	1902.42212	4.422119	0.3217005	0.0406170674	0.6871795	268	0.670606434	1f3b3037-bb9d-45fa-9a9c-70cc299da470	dd3ea070-54a6-4ea7-b99b-a6e975fdd204	1c3ad0aa-ee78-4542-93b3-aa9fdf07add1
+26	Glucose (1MEOX) (5TMS) BP	Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-34]	1899.05493	1.054953	0.344280958	0.0430808775	0.6792453	252	0.6687114	8dee81a1-8d98-4a73-b55d-9de42f10e190	68513255-fc44-4041-bc4b-4fd2fae7541d	0a2b3536-2245-4c0e-bdbc-495766eeec67
+26	Idose (1MEOX) (5TMS) BP	Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]	1897.25439	0.745605469	0.395884931	0.06784772	0.4883721	84	0.5683281	d00de57d-6fab-49d0-9aee-25e259da9180	ab025068-f464-4bc6-9c92-994c29387db2	6f4e926f-d7ef-47b6-a52c-91ff88ca567a
+26	Glucose, 2-amino-2-deoxy- (5TMS) MP	Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--3]	1899.495	1.49494946	0.427320033	0.04681223	0.6769231	264	0.659248	754097ce-c7df-40cb-bec1-ba8b0fad83f8	2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6	539fe164-0ea9-4509-bf37-fc9bc8073646
+26	Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP	Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1]	1893.44385	4.55619574	0.427679241	0.06071977	0.5301724	123	0.5829808	2b364030-9fa7-4066-b685-52d7946110a6	00ce759f-d1f9-492e-89f7-b7400a34c72d	da9d76f5-a2af-4fd1-89e1-c8426ad16980
+26	Glucose, U-13C- (1MEOX) (5TMS) BP	Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]	1901.63	3.63	0.465603054	0.07114003	0.6576087	121	0.69967103	27d4dcdd-d351-4976-8ef9-76a0cc53f631	441faccb-2631-4e7d-b6ca-99437265ccb8	96441b61-2891-4e81-93dc-d0fc0ad175d4
+26	Allantoin (5TMS)	Allantoin (5TMS) [A188009-ambient-na-3]	1896.99829	1.001709	0.465666384	0.0664371848	0.592417061	125	0.644419968	8216bdb2-7a7d-440c-95eb-7e63f8e8c502	a999f0d6-0285-41d9-a6ba-b705987b663c	65bb54d2-6bf7-4a53-aa22-8abf71240005
+27		no results
+28		no results
+29	Glucose (1MEOX) (5TMS) BP	Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-13]	1899.05493	1.054953	0.09931051	0.03675817	0.8707483	128	0.838178635	3077498f-10ce-4b5c-ba6a-9b6f439e8248	68513255-fc44-4041-bc4b-4fd2fae7541d	0a2b3536-2245-4c0e-bdbc-495766eeec67
+29	Galactose (1MEOX) (5TMS) BP	Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--7]	1902.42212	4.422119	0.421677	0.06322134	0.890995264	188	0.8402361	39e48209-b3a4-41cf-b83d-78d92a054d12	dd3ea070-54a6-4ea7-b99b-a6e975fdd204	1c3ad0aa-ee78-4542-93b3-aa9fdf07add1
+30	Glucose (1MEOX) (5TMS) BP	Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-2]	1899.05493	1.054953	0.2612175	0.05961526	0.877551	129	0.8724958	34a5b91e-e473-4ed6-9a40-067e0cd944f9	68513255-fc44-4041-bc4b-4fd2fae7541d	0a2b3536-2245-4c0e-bdbc-495766eeec67
+30	Galactose (1MEOX) (5TMS) BP	Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--2]	1902.42212	4.422119	0.308447272	0.0369433463	0.8960177	405	0.826731861	0bfc9541-70d5-4d50-89c4-351a87971133	dd3ea070-54a6-4ea7-b99b-a6e975fdd204	1c3ad0aa-ee78-4542-93b3-aa9fdf07add1
+30	Glucose, U-13C- (1MEOX) (5TMS) BP	Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-7]	1901.63	3.63	0.31029287	0.07687874	0.8857143	93	0.8900069	6c360eba-d726-44d9-a666-d0695d8448cf	441faccb-2631-4e7d-b6ca-99437265ccb8	96441b61-2891-4e81-93dc-d0fc0ad175d4
+30	Idose (1MEOX) (5TMS) BP	Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]	1897.25439	0.745605469	0.328630984	0.0649093	0.8397436	131	0.8301488	d00de57d-6fab-49d0-9aee-25e259da9180	ab025068-f464-4bc6-9c92-994c29387db2	6f4e926f-d7ef-47b6-a52c-91ff88ca567a
+30	Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP	Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1]	1893.44385	4.55619574	0.3761082	0.0575649925	0.845815	192	0.810805559	2b364030-9fa7-4066-b685-52d7946110a6	00ce759f-d1f9-492e-89f7-b7400a34c72d	da9d76f5-a2af-4fd1-89e1-c8426ad16980
+30	Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS)	Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) [A189024-ambient-na-2]	1897.83862	0.161383286	0.3884204	0.04664788	0.8627451	308	0.7934234	c1d0193b-0442-41fe-aab0-fc2438624170	151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff	471f9ab0-1cf5-40d3-ba88-edc2458d3242
+30	Allantoin (5TMS)	Allantoin (5TMS) [A188009-ambient-na-4]	1896.99829	1.001709	0.3937276	0.0530314967	0.85	238	0.7980373	d943c34e-3a28-43a2-9cbc-a05ab6a7a506	a999f0d6-0285-41d9-a6ba-b705987b663c	65bb54d2-6bf7-4a53-aa22-8abf71240005
+30	Glucose, 2-amino-2-deoxy- (5TMS) MP	Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--3]	1899.495	1.49494946	0.412831277	0.04613021	0.873711348	339	0.8028878	754097ce-c7df-40cb-bec1-ba8b0fad83f8	2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6	539fe164-0ea9-4509-bf37-fc9bc8073646
+31		no results
+32	Galactose_3_5TMS	Galactose_3_5TMS [A190022-ambient-na-1]	1896.3114	1.68858171	0.285083026	0.0468289033	0.8923077	232	0.838121355	ef78eeb1-ec7f-453d-90bd-cd1bf3b04153	f01236e3-4d1e-493a-bd99-3aca2801f86e	17441428-6e9c-4caf-84d5-561b494df795
+33		no results
+34		no results
+35		no results
+36		no results
+37		no results
+38		no results
+39		no results
+40	Galactose (1MEOX) (5TMS) BP	Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--6]	1902.42212	4.422119	0.277911574	0.06256395	0.732394338	104	0.729044855	6e056b61-4da9-46e3-970b-680a22e4afd0	dd3ea070-54a6-4ea7-b99b-a6e975fdd204	1c3ad0aa-ee78-4542-93b3-aa9fdf07add1
+40	Glucose (1MEOX) (5TMS) BP	Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-12]	1899.05493	1.054953	0.278482944	0.06262823	0.7394366	105	0.736245036	833ab58c-a8fa-4389-8b42-95e618cafb91	68513255-fc44-4041-bc4b-4fd2fae7541d	0a2b3536-2245-4c0e-bdbc-495766eeec67
+40	Idose (1MEOX) (5TMS) BP	Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]	1897.25439	0.745605469	0.280440927	0.0621944554	0.737931	107	0.732707858	d00de57d-6fab-49d0-9aee-25e259da9180	ab025068-f464-4bc6-9c92-994c29387db2	6f4e926f-d7ef-47b6-a52c-91ff88ca567a
+40	Glucose, U-13C- (1MEOX) (5TMS) BP	Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]	1901.63	3.63	0.2874546	0.0645446256	0.768115938	106	0.7676177	27d4dcdd-d351-4976-8ef9-76a0cc53f631	441faccb-2631-4e7d-b6ca-99437265ccb8	96441b61-2891-4e81-93dc-d0fc0ad175d4
+40	Allantoin (5TMS)	Allantoin (5TMS) [A188009-ambient-na-5]	1896.99829	1.001709	0.2895849	0.06674693	0.77692306	101	0.7805435	817f2a03-9df5-46e3-973c-b2a9675109cf	a999f0d6-0285-41d9-a6ba-b705987b663c	65bb54d2-6bf7-4a53-aa22-8abf71240005
+40	Erythrose-4-phosphate (1MEOX) (4TMS) MP	Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]	1895.98438	2.01558065	0.2977326	0.0378339365	0.8798077	366	0.810132563	85927200-53a4-492a-ad57-0a7b1d8a6e85	d4f07f67-d45b-43b6-bd4c-d08708d1a7ad	2665f816-5c52-45ed-901e-4481cf048257
+40	Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP	Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1]	1893.44385	4.55619574	0.297866017	0.0522753857	0.788990855	172	0.7474291	2b364030-9fa7-4066-b685-52d7946110a6	00ce759f-d1f9-492e-89f7-b7400a34c72d	da9d76f5-a2af-4fd1-89e1-c8426ad16980
+40	Glucose, 2-amino-2-deoxy- (5TMS) MP	Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--3]	1899.495	1.49494946	0.3113892	0.0400636867	0.8685567	337	0.798404	754097ce-c7df-40cb-bec1-ba8b0fad83f8	2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6	539fe164-0ea9-4509-bf37-fc9bc8073646
+40	Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS)	Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) [A189024-ambient-na-2]	1897.83862	0.161383286	0.3266352	0.042777203	0.857142866	306	0.7886923	c1d0193b-0442-41fe-aab0-fc2438624170	151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff	471f9ab0-1cf5-40d3-ba88-edc2458d3242
+41	Glucose (1MEOX) (5TMS) BP	Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-2]	1899.05493	1.054953	0.274106264	0.0659613	0.880952358	111	0.8493862	34a5b91e-e473-4ed6-9a40-067e0cd944f9	68513255-fc44-4041-bc4b-4fd2fae7541d	0a2b3536-2245-4c0e-bdbc-495766eeec67
+41	Galactose (1MEOX) (5TMS) BP	Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--4]	1902.42212	4.422119	0.3795422	0.0640559047	0.8972973	166	0.846152842	aa553c8b-f188-48eb-ae82-5d7769781ff3	dd3ea070-54a6-4ea7-b99b-a6e975fdd204	1c3ad0aa-ee78-4542-93b3-aa9fdf07add1
+41	Glucose, U-13C- (1MEOX) (5TMS) BP	Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-7]	1901.63	3.63	0.388783872	0.09984397	0.8076923	63	0.7976193	6c360eba-d726-44d9-a666-d0695d8448cf	441faccb-2631-4e7d-b6ca-99437265ccb8	96441b61-2891-4e81-93dc-d0fc0ad175d4
+41	Idose (1MEOX) (5TMS) BP	Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]	1897.25439	0.745605469	0.411971271	0.07755114	0.8540146	117	0.807369	d00de57d-6fab-49d0-9aee-25e259da9180	ab025068-f464-4bc6-9c92-994c29387db2	6f4e926f-d7ef-47b6-a52c-91ff88ca567a
+42		no results
+43		no results
+44	Hexadecenoic acid methyl ester, 9-(Z)-, n-	Hexadecenoic acid methyl ester, 9-(Z)-, n- [A190014-ambient-n--1]	1897.67859	0.321411133	0.496792018	0.0564319454	0.8076923	252	0.7531352	1ac5af55-f8bc-49fd-9808-23a0722c0288	75683e89-302c-4280-a15e-e1187cd75ceb	75683e89-302c-4280-a15e-e1187cd75ceb
+45	Allantoin (5TMS)	Allantoin (5TMS) [A188009-ambient-na-5]	1896.99829	1.001709	0.240036309	0.0654703155	0.8660714	97	0.817842841	817f2a03-9df5-46e3-973c-b2a9675109cf	a999f0d6-0285-41d9-a6ba-b705987b663c	65bb54d2-6bf7-4a53-aa22-8abf71240005
+45	Galactose (1MEOX) (5TMS) BP	Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--6]	1902.42212	4.422119	0.295640856	0.06642703	0.8955224	120	0.846885443	6e056b61-4da9-46e3-970b-680a22e4afd0	dd3ea070-54a6-4ea7-b99b-a6e975fdd204	1c3ad0aa-ee78-4542-93b3-aa9fdf07add1
+45	Glucose (1MEOX) (5TMS) BP	Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-12]	1899.05493	1.054953	0.2960842	0.06672626	0.8947368	119	0.8462343	833ab58c-a8fa-4389-8b42-95e618cafb91	68513255-fc44-4041-bc4b-4fd2fae7541d	0a2b3536-2245-4c0e-bdbc-495766eeec67
+45	Glucose, U-13C- (1MEOX) (5TMS) BP	Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]	1901.63	3.63	0.30949235	0.07036958	0.896	112	0.8524104	27d4dcdd-d351-4976-8ef9-76a0cc53f631	441faccb-2631-4e7d-b6ca-99437265ccb8	96441b61-2891-4e81-93dc-d0fc0ad175d4
+45	Idose (1MEOX) (5TMS) BP	Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]	1897.25439	0.745605469	0.321015328	0.0684569553	0.8978102	123	0.8487915	d00de57d-6fab-49d0-9aee-25e259da9180	ab025068-f464-4bc6-9c92-994c29387db2	6f4e926f-d7ef-47b6-a52c-91ff88ca567a
+46		no results
+47		no results
+48		no results
+49	Glucose, U-13C- (1MEOX) (5TMS) BP	Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]	1901.63	3.63	0.339354962	0.06794906	0.789115667	116	0.7937466	27d4dcdd-d351-4976-8ef9-76a0cc53f631	441faccb-2631-4e7d-b6ca-99437265ccb8	96441b61-2891-4e81-93dc-d0fc0ad175d4
+49	Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP	Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-9]	1902.77417	4.77417	0.3519312	0.0481179468	0.858552635	261	0.8186131	8bbd7202-8794-4486-8b16-61d8dff4c5bd	87e988c4-f26c-4e03-9a40-1b0c0b36ca67	163bf790-e995-46a9-8059-446172ddca0f
+49	Glucose (1MEOX) (5TMS) BP	Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-1]	1899.05493	1.054953	0.359753639	0.040576715	0.8741419	382	0.809872568	e62d396e-0d3a-4414-88f0-021d5142f09b	68513255-fc44-4041-bc4b-4fd2fae7541d	0a2b3536-2245-4c0e-bdbc-495766eeec67
+49	Erythrose-4-phosphate (1MEOX) (4TMS) MP	Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]	1895.98438	2.01558065	0.360862046	0.04160232	0.8633093	360	0.797326	85927200-53a4-492a-ad57-0a7b1d8a6e85	d4f07f67-d45b-43b6-bd4c-d08708d1a7ad	2665f816-5c52-45ed-901e-4481cf048257
+49	Galactose (1MEOX) (5TMS) BP	Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--9]	1902.42212	4.422119	0.369685978	0.0597649142	0.845410645	175	0.8303501	c1226b8e-944e-4d32-ae01-8a9d12465d34	dd3ea070-54a6-4ea7-b99b-a6e975fdd204	1c3ad0aa-ee78-4542-93b3-aa9fdf07add1
+49	Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP	Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1]	1893.44385	4.55619574	0.373405039	0.0552105457	0.8897959	218	0.871291757	2b364030-9fa7-4066-b685-52d7946110a6	00ce759f-d1f9-492e-89f7-b7400a34c72d	da9d76f5-a2af-4fd1-89e1-c8426ad16980
+49	Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS)	Propanoic acid, 3-amino-3-(4-hydroxyphenyl)- (3TMS) [A189024-ambient-na-2]	1897.83862	0.161383286	0.381997973	0.04606746	0.844444454	304	0.7836719	c1d0193b-0442-41fe-aab0-fc2438624170	151fe4e1-8ae4-43fc-aa1f-cf6e2a62b7ff	471f9ab0-1cf5-40d3-ba88-edc2458d3242
+49	Glucose, 2-amino-2-deoxy- (5TMS) MP	Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--3]	1899.495	1.49494946	0.41416198	0.0457932577	0.86835444	343	0.810132265	754097ce-c7df-40cb-bec1-ba8b0fad83f8	2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6	539fe164-0ea9-4509-bf37-fc9bc8073646
+49	Allantoin (5TMS)	Allantoin (5TMS) [A188009-ambient-na-4]	1896.99829	1.001709	0.456007272	0.0551366322	0.8933333	268	0.8647887	d943c34e-3a28-43a2-9cbc-a05ab6a7a506	a999f0d6-0285-41d9-a6ba-b705987b663c	65bb54d2-6bf7-4a53-aa22-8abf71240005
+50		no results
+51	Glucose, U-13C- (1MEOX) (5TMS) BP	Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]	1901.63	3.63	0.123899154	0.04382828	0.8914729	115	0.859087646	27d4dcdd-d351-4976-8ef9-76a0cc53f631	441faccb-2631-4e7d-b6ca-99437265ccb8	96441b61-2891-4e81-93dc-d0fc0ad175d4
+51	Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP	Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-3]	1902.77417	4.77417	0.335227549	0.0710001141	0.864661634	115	0.820953369	6754fc3e-ad28-4576-b723-60aa4fa0790b	87e988c4-f26c-4e03-9a40-1b0c0b36ca67	163bf790-e995-46a9-8059-446172ddca0f
+52		no results
+53		no results
+54		no results
+55		no results
+56		no results
+57	Galactose_3_5TMS	Galactose_3_5TMS [A190022-ambient-na-1]	1896.3114	1.68858171	0.3086605	0.0472080037	0.8050541	223	0.7846002	ef78eeb1-ec7f-453d-90bd-cd1bf3b04153	f01236e3-4d1e-493a-bd99-3aca2801f86e	17441428-6e9c-4caf-84d5-561b494df795
+57	Glucose (1MEOX) (5TMS) BP	Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-2]	1899.05493	1.054953	0.432055831	0.0723674	0.8242424	136	0.8337416	34a5b91e-e473-4ed6-9a40-067e0cd944f9	68513255-fc44-4041-bc4b-4fd2fae7541d	0a2b3536-2245-4c0e-bdbc-495766eeec67
+57	Galactose (1MEOX) (5TMS) BP	Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--8]	1902.42212	4.422119	0.440757215	0.0556150451	0.8245614	235	0.8042714	9c570b75-fe0c-43b8-9311-7b8af17dd55b	dd3ea070-54a6-4ea7-b99b-a6e975fdd204	1c3ad0aa-ee78-4542-93b3-aa9fdf07add1
+57	Glucose, 2-amino-2-deoxy- (5TMS) MP	Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--8]	1899.495	1.49494946	0.482367963	0.0575781539	0.824742258	240	0.802868068	11e07008-ff9d-4d76-9b09-590beaa90f22	2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6	539fe164-0ea9-4509-bf37-fc9bc8073646
+57	Idose (1MEOX) (5TMS) BP	Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]	1897.25439	0.745605469	0.494594038	0.07413156	0.8333333	150	0.839251935	d00de57d-6fab-49d0-9aee-25e259da9180	ab025068-f464-4bc6-9c92-994c29387db2	6f4e926f-d7ef-47b6-a52c-91ff88ca567a
+58		no results
+59		no results
+60	Glucose (1MEOX) (5TMS) BP	Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-18]	1899.05493	1.054953	0.17318368	0.06273749	0.852272749	75	0.8504949	3468acbd-3fed-489b-b93d-b3c9beab9f82	68513255-fc44-4041-bc4b-4fd2fae7541d	0a2b3536-2245-4c0e-bdbc-495766eeec67
+60	Glucose, U-13C- (1MEOX) (5TMS) BP	Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-7]	1901.63	3.63	0.175843075	0.0643232837	0.8235294	70	0.8236748	6c360eba-d726-44d9-a666-d0695d8448cf	441faccb-2631-4e7d-b6ca-99437265ccb8	96441b61-2891-4e81-93dc-d0fc0ad175d4
+60	Idose (1MEOX) (5TMS) BP	Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]	1897.25439	0.745605469	0.185437113	0.05092667	0.853146851	122	0.8227301	d00de57d-6fab-49d0-9aee-25e259da9180	ab025068-f464-4bc6-9c92-994c29387db2	6f4e926f-d7ef-47b6-a52c-91ff88ca567a
+60	Galactose (1MEOX) (5TMS) BP	Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--9]	1902.42212	4.422119	0.185893178	0.0448291861	0.854054034	158	0.802647948	c1226b8e-944e-4d32-ae01-8a9d12465d34	dd3ea070-54a6-4ea7-b99b-a6e975fdd204	1c3ad0aa-ee78-4542-93b3-aa9fdf07add1
+60	Allantoin (5TMS)	Allantoin (5TMS) [A188009-ambient-na-5]	1896.99829	1.001709	0.2467115	0.0623315349	0.8976378	114	0.88253355	817f2a03-9df5-46e3-973c-b2a9675109cf	a999f0d6-0285-41d9-a6ba-b705987b663c	65bb54d2-6bf7-4a53-aa22-8abf71240005
+60	Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP	Pyruvic acid, 4-hydroxyphenyl- (1MEOX) (2TMS) MP [A190013-ambient-no-9]	1902.77417	4.77417	0.2950538	0.04510935	0.8965517	260	0.8291562	8bbd7202-8794-4486-8b16-61d8dff4c5bd	87e988c4-f26c-4e03-9a40-1b0c0b36ca67	163bf790-e995-46a9-8059-446172ddca0f
+60	Glucose, 2-amino-2-deoxy- (5TMS) MP	Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--2]	1899.495	1.49494946	0.365909427	0.052255787	0.8955224	240	0.833884954	4c89b294-311e-4e11-8af3-8e80b969109f	2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6	539fe164-0ea9-4509-bf37-fc9bc8073646
+61		no results
+62		no results
+63		no results
+64		no results
+65		no results
+66		no results
+67		no results
+68		no results
+69		no results
+70		no results
+71		no results
+72		no results
+73		no results
+74		no results
+75		no results
+76	Hexadecenoic acid methyl ester, 9-(Z)-, n-	Hexadecenoic acid methyl ester, 9-(Z)-, n- [A190014-ambient-n--3]	1897.67859	0.321411133	0.4841707	0.070833	0.834196866	161	0.787648559	2e42e393-8070-47b8-a933-d3c41043d785	75683e89-302c-4280-a15e-e1187cd75ceb	75683e89-302c-4280-a15e-e1187cd75ceb
+77	Glucose (1MEOX) (5TMS) BP	Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-18]	1899.05493	1.054953	0.2844056	0.07994458	0.8876405	79	0.883293	3468acbd-3fed-489b-b93d-b3c9beab9f82	68513255-fc44-4041-bc4b-4fd2fae7541d	0a2b3536-2245-4c0e-bdbc-495766eeec67
+78		no results
+79		no results
+80		no results
+81		no results
+82		no results
+83		no results
+84		no results
+85		no results
+86		no results
+87		no results
+88		no results
+89		no results
+90		no results
+91		no results
+92		no results
+93		no results
+94		no results
+95		no results
+96	Nonadecane	Nonadecane [A190001-ambient-n--1]	1900	2	0.08678086	0.0508967042	0.477611929	32	0.5542277	44b956d8-a487-4269-baee-49e6ba5658c3	5dff1f48-853a-4ce2-852c-81c871ef1da6	5dff1f48-853a-4ce2-852c-81c871ef1da6
+97		no results
+98		no results
+99		no results
+100		no results
+101		no results
+102		no results
+103		no results
+104		no results
+105		no results
+106	Nonadecane	Nonadecane [A190001-ambient-n--1]	1900	2	0.08444913	0.0502082668	0.477611929	32	0.5542277	44b956d8-a487-4269-baee-49e6ba5658c3	5dff1f48-853a-4ce2-852c-81c871ef1da6	5dff1f48-853a-4ce2-852c-81c871ef1da6
+107	Nonadecane	Nonadecane [A190001-ambient-n--1]	1900	2	0.09447143	0.0523287952	0.5072464	35	0.5783457	44b956d8-a487-4269-baee-49e6ba5658c3	5dff1f48-853a-4ce2-852c-81c871ef1da6	5dff1f48-853a-4ce2-852c-81c871ef1da6
+108		no results
+109		no results
+110		no results
+111		no results
+112	Nonadecane	Nonadecane [A190001-ambient-n--1]	1900	2	0.0940891653	0.0529965349	0.522388041	35	0.5863345	44b956d8-a487-4269-baee-49e6ba5658c3	5dff1f48-853a-4ce2-852c-81c871ef1da6	5dff1f48-853a-4ce2-852c-81c871ef1da6
+113		no results
+114		no results
+115		no results
+116		no results
+117		no results
+118		no results
+119		no results
+120	Nonadecane	Nonadecane [A190001-ambient-n--1]	1900	2	0.092078425	0.05282288	0.545454562	36	0.6008149	44b956d8-a487-4269-baee-49e6ba5658c3	5dff1f48-853a-4ce2-852c-81c871ef1da6	5dff1f48-853a-4ce2-852c-81c871ef1da6
+121		no results
+122		no results
+123		no results
+124	Nonadecane	Nonadecane [A190001-ambient-n--1]	1900	2	0.07481606	0.05036009	0.5423729	32	0.5744617	44b956d8-a487-4269-baee-49e6ba5658c3	5dff1f48-853a-4ce2-852c-81c871ef1da6	5dff1f48-853a-4ce2-852c-81c871ef1da6
+125		no results
+126	Nonadecane	Nonadecane [A190001-ambient-n--1]	1900	2	0.09435291	0.05307076	0.5671642	38	0.6182873	44b956d8-a487-4269-baee-49e6ba5658c3	5dff1f48-853a-4ce2-852c-81c871ef1da6	5dff1f48-853a-4ce2-852c-81c871ef1da6
+127		no results
+128		no results
+129		no results
+130		no results
+131		no results
+132		no results
+133		no results
+134		no results
+135		no results
+136	Nonadecane	Nonadecane [A190001-ambient-n--1]	1900	2	0.07581174	0.050269857	0.6	36	0.618036032	44b956d8-a487-4269-baee-49e6ba5658c3	5dff1f48-853a-4ce2-852c-81c871ef1da6	5dff1f48-853a-4ce2-852c-81c871ef1da6
+137		no results
+138		no results
+139		no results
+140		no results
+141		no results
+142	Nonadecane	Nonadecane [A190001-ambient-n--1]	1900	2	0.0759908259	0.0507539362	0.6101695	36	0.6193023	44b956d8-a487-4269-baee-49e6ba5658c3	5dff1f48-853a-4ce2-852c-81c871ef1da6	5dff1f48-853a-4ce2-852c-81c871ef1da6
+143		no results
+144		no results
+145		no results
+146		no results
+147		no results
+148		no results
+149	Nonadecane	Nonadecane [A190001-ambient-n--1]	1900	2	0.06280607	0.0465373769	0.827586234	48	0.7647042	44b956d8-a487-4269-baee-49e6ba5658c3	5dff1f48-853a-4ce2-852c-81c871ef1da6	5dff1f48-853a-4ce2-852c-81c871ef1da6
+150		no results
+151		no results
+152		no results
+153		no results
+154		no results
+155		no results
+156		no results
+157		no results
+158		no results
+159		no results
+160		no results
+161		no results
+162		no results
+163		no results
+164		no results
+165		no results
+166		no results
+167		no results
+168		no results
+169	Nonadecane	Nonadecane [A190001-ambient-n--1]	1900	2	0.110666931	0.0607363	0.9	54	0.8493862	44b956d8-a487-4269-baee-49e6ba5658c3	5dff1f48-853a-4ce2-852c-81c871ef1da6	5dff1f48-853a-4ce2-852c-81c871ef1da6
+170		no results
+171	Nonadecane	Nonadecane [A190001-ambient-n--1]	1900	2	0.126968026	0.06616803	0.8965517	52	0.8236299	44b956d8-a487-4269-baee-49e6ba5658c3	5dff1f48-853a-4ce2-852c-81c871ef1da6	5dff1f48-853a-4ce2-852c-81c871ef1da6
+172		no results
+173		no results
+174		no results
+175		no results
+176		no results
+177		no results
+178		no results
+179		no results
+180		no results
+181		no results
+182		no results
+183		no results
+184		no results
+185		no results
+186		no results
+187		no results
+188		no results
+189		no results
+190		no results
+191		no results
+192		no results
+193		no results
+194		no results
+195		no results
+196		no results
+197		no results
+198		no results
+199		no results
+200		no results
+201		no results
+202		no results
+203		no results
+204		no results
+205		no results
+206		no results
+207		no results
+208		no results
+209		no results
+210		no results
+211		no results
+212		no results
+213		no results
+214		no results
+215	Glucose (1MEOX) (5TMS) BP	Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-24]	1899.05493	1.054953	0.111725941	0.04333297	0.689075649	82	0.72035563	d87f501a-9d45-4244-9461-f8dd1943930e	68513255-fc44-4041-bc4b-4fd2fae7541d	0a2b3536-2245-4c0e-bdbc-495766eeec67
+215	Galactose (1MEOX) (5TMS) BP	Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--3]	1902.42212	4.422119	0.121540077	0.0373766236	0.6436782	112	0.678422451	5a6e8d9a-926f-4589-a67c-46ff9b93f7ca	dd3ea070-54a6-4ea7-b99b-a6e975fdd204	1c3ad0aa-ee78-4542-93b3-aa9fdf07add1
+215	Idose (1MEOX) (5TMS) BP	Idose (1MEOX) (5TMS) BP [A191005-ambient-na-1]	1897.25439	0.745605469	0.12473502	0.03924205	0.6234568	101	0.6659031	d00de57d-6fab-49d0-9aee-25e259da9180	ab025068-f464-4bc6-9c92-994c29387db2	6f4e926f-d7ef-47b6-a52c-91ff88ca567a
+215	Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP	Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-1]	1893.44385	4.55619574	0.1716096	0.0389701054	0.654867232	148	0.663134336	2b364030-9fa7-4066-b685-52d7946110a6	00ce759f-d1f9-492e-89f7-b7400a34c72d	da9d76f5-a2af-4fd1-89e1-c8426ad16980
+215	Allantoin (5TMS)	Allantoin (5TMS) [A188009-ambient-na-6]	1896.99829	1.001709	0.201827526	0.04762064	0.7247191	129	0.7480244	063fa226-ed62-4d9f-9d5c-ee52c0974e55	a999f0d6-0285-41d9-a6ba-b705987b663c	65bb54d2-6bf7-4a53-aa22-8abf71240005
+215	Glucose, U-13C- (1MEOX) (5TMS) BP	Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]	1901.63	3.63	0.203410134	0.0493563563	0.742514968	124	0.76602006	27d4dcdd-d351-4976-8ef9-76a0cc53f631	441faccb-2631-4e7d-b6ca-99437265ccb8	96441b61-2891-4e81-93dc-d0fc0ad175d4
+215	Erythrose-4-phosphate (1MEOX) (4TMS) MP	Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-1]	1895.98438	2.01558065	0.21932818	0.0323174857	0.7952381	334	0.7466316	85927200-53a4-492a-ad57-0a7b1d8a6e85	d4f07f67-d45b-43b6-bd4c-d08708d1a7ad	2665f816-5c52-45ed-901e-4481cf048257
+216		no results
+217		no results
+218		no results
+219		no results
+220		no results
+221		no results
+222		no results
+223		no results
+224		no results
+225		no results
+226	Glucose (1MEOX) (5TMS) BP	Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-20]	1899.05493	1.054953	0.186731711	0.04020852	0.5974026	138	0.6166982	8d439b60-424f-46f7-b996-c0c2114f797e	68513255-fc44-4041-bc4b-4fd2fae7541d	0a2b3536-2245-4c0e-bdbc-495766eeec67
+226	Galactose (1MEOX) (5TMS) BP	Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--7]	1902.42212	4.422119	0.232166454	0.0416243374	0.4067164	109	0.504510641	39e48209-b3a4-41cf-b83d-78d92a054d12	dd3ea070-54a6-4ea7-b99b-a6e975fdd204	1c3ad0aa-ee78-4542-93b3-aa9fdf07add1
+226	Idose (1MEOX) (5TMS) BP	Idose (1MEOX) (5TMS) BP [A191005-ambient-na-2]	1897.25439	0.745605469	0.2555795	0.04512749	0.334661365	84	0.446271449	c1f0e928-1960-4643-b93b-81a20351ccd9	ab025068-f464-4bc6-9c92-994c29387db2	6f4e926f-d7ef-47b6-a52c-91ff88ca567a
+226	Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP	Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2]	1893.44385	4.55619574	0.29649204	0.0328352377	0.6	330	0.608352542	8bf796f1-f7cf-4df5-afbc-979b0d95a383	00ce759f-d1f9-492e-89f7-b7400a34c72d	da9d76f5-a2af-4fd1-89e1-c8426ad16980
+226	Galactose_3_5TMS	Galactose_3_5TMS [A190022-ambient-na-1]	1896.3114	1.68858171	0.363172352	0.0492873862	0.408026755	122	0.504798055	ef78eeb1-ec7f-453d-90bd-cd1bf3b04153	f01236e3-4d1e-493a-bd99-3aca2801f86e	17441428-6e9c-4caf-84d5-561b494df795
+226	Glucose, 2-amino-2-deoxy- (5TMS) MP	Glucose, 2-amino-2-deoxy- (5TMS) MP [A193015-ambient-DL--8]	1899.495	1.49494946	0.400953531	0.05295159	0.2972028	85	0.414242685	11e07008-ff9d-4d76-9b09-590beaa90f22	2b4d44b2-d5ac-4da4-9be6-a4ae9574e4a6	539fe164-0ea9-4509-bf37-fc9bc8073646
+226	Glucose, U-13C- (1MEOX) (5TMS) BP	Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-7]	1901.63	3.63	0.453271121	0.0621097945	0.7617021	179	0.738404453	6c360eba-d726-44d9-a666-d0695d8448cf	441faccb-2631-4e7d-b6ca-99437265ccb8	96441b61-2891-4e81-93dc-d0fc0ad175d4
+226	Erythrose-4-phosphate (1MEOX) (4TMS) MP	Erythrose-4-phosphate (1MEOX) (4TMS) MP [A191009-ambient-na-5]	1895.98438	2.01558065	0.483825535	0.0507976674	0.461333334	173	0.5301436	1b34c722-1fd3-4d61-a48b-da2614f96e23	d4f07f67-d45b-43b6-bd4c-d08708d1a7ad	2665f816-5c52-45ed-901e-4481cf048257
+227		no results
+228	Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP	Glucuronic acid-3,6-lactone (1MEOX) (3TMS) MP [A189014-ambient-na-2]	1893.44385	4.55619574	0.49236843	0.0423520021	0.5974499	328	0.6059947	8bf796f1-f7cf-4df5-afbc-979b0d95a383	00ce759f-d1f9-492e-89f7-b7400a34c72d	da9d76f5-a2af-4fd1-89e1-c8426ad16980
+229		no results
+230		no results
+231	Glucose (1MEOX) (5TMS) BP	Glucose (1MEOX) (5TMS) BP [A191001-ambient-na-24]	1899.05493	1.054953	0.191139191	0.0709223449	0.8947368	68	0.878837764	d87f501a-9d45-4244-9461-f8dd1943930e	68513255-fc44-4041-bc4b-4fd2fae7541d	0a2b3536-2245-4c0e-bdbc-495766eeec67
+231	Glucose, U-13C- (1MEOX) (5TMS) BP	Glucose, U-13C- (1MEOX) (5TMS) BP [A191001-13C-na-2]	1901.63	3.63	0.193600208	0.0558800921	0.887096763	110	0.8399839	27d4dcdd-d351-4976-8ef9-76a0cc53f631	441faccb-2631-4e7d-b6ca-99437265ccb8	96441b61-2891-4e81-93dc-d0fc0ad175d4
+231	Galactose (1MEOX) (5TMS) BP	Galactose (1MEOX) (5TMS) BP [A191002-ambient-DL--10]	1902.42212	4.422119	0.216909975	0.06141944	0.8869565	102	0.845184863	314b38dc-9bfb-4a7f-aaaa-bd80ef4ec82d	dd3ea070-54a6-4ea7-b99b-a6e975fdd204	1c3ad0aa-ee78-4542-93b3-aa9fdf07add1
+231	Allantoin (5TMS)	Allantoin (5TMS) [A188009-ambient-na-2]	1896.99829	1.001709	0.242943108	0.08852613	0.887096763	55	0.8791416	bb9eafcc-28ff-4a63-8786-2e5e1053b337	a999f0d6-0285-41d9-a6ba-b705987b663c	65bb54d2-6bf7-4a53-aa22-8abf71240005
+232		no results
+233		no results
+234		no results
+235		no results
+236		no results
+237		no results
+238		no results
+239		no results
+240		no results
+241		no results
+242		no results
+243		no results
+244		no results
+245		no results
+246		no results
+247		no results
+248	Nonadecane	Nonadecane [A190001-ambient-n--1]	1900	2	0.05944854	0.04527639	0.7586207	44	0.7132295	44b956d8-a487-4269-baee-49e6ba5658c3	5dff1f48-853a-4ce2-852c-81c871ef1da6	5dff1f48-853a-4ce2-852c-81c871ef1da6
+249		no results
+250		no results
+251		no results
+252		no results
+253		no results
+254		no results
+255		no results
+256		no results
+257		no results
+258		no results
+259		no results
+260		no results
+261		no results
+262		no results
+263		no results
+264		no results
+265		no results
+266		no results
+267		no results
+268		no results
+269		no results
+270		no results
+271		no results
+272		no results
+273		no results
+274		no results