Mercurial > repos > fgiacomoni > hmdb_ms_search

--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/README.md	Wed Nov 23 09:31:50 2016 -0500
@@ -0,0 +1,52 @@
+HMDB MS search - search by masses on HMDB online bank
+=====================================================
+
+[![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.
+
+
+HMDB MS search - search by masses on HMDB online bank
+-----------------------------------------------------
+
+Tool using the HMDB Library Search.
+
+
+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-lwp-simple perl-lwp-useragent perl-uri-url perl-soap-lite perl-list-moreutils perl-text-csv perl perl-html-template
+#To set an environment:
+conda create -n tool-bank-hmdb perl-soap-lite perl-list-moreutils perl-json perl-html-template`
+#To activate the environment:
+. activate tool-bank-hmdb
+```
+
+
+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
+---------------------
+- 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)
+- Marion Landi - [LIFEGRID grant](http://www.lifegrid.fr/fr/home/le-pra-lifegrid.html) - [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/README.txt	Wed Nov 23 09:31:50 2016 -0500
@@ -0,0 +1,68 @@
+## ****** HMDB environnemnt : ****** ##
+# version Nov 2016 M Landi / F Giacomoni - INRA - METABOHUB - workflow4metabolomics.org core team
+
+## --- PERL compilator / libraries : --- ##
+$ perl -v
+This is perl, v5.10.1 (*) built for x86_64-linux-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 ;
+use Encode;
+
+# libs CPAN PERL :
+$ perl -e 'use Text::CSV' 	- OK
+use LWP::Simple;		- OK
+use LWP::UserAgent;		- OK
+use URI::URL;			- OK
+use SOAP::Lite;			- OK
+use HTML::Template ;		- OK
+use XML::Twig ; 	- OK
+
+$ sudo perl -MCPAN -e shell
+cpan> install Text::CSV
+
+# libs pfem PERL : this lib were included in lib dir.
+use conf::conf  qw( :ALL ) ;
+use formats::csv  qw( :ALL ) ;
+--
+
+## --- Conda compliant --- ##
+This tool and its PERL dependencies are "Conda compliant".
+The requirements section in the Xml file is still commented, waiting for "Conda" deployment improvement in Galaxy project.
+
+## --- R bin and Packages : --- ##
+No interaction with R
+--
+
+## --- Binary dependencies --- ##
+No interaction with binary - use only HMDB post method (http://www.hmdb.ca/spectra/ms/search?)
+--
+
+## --- Config : --- ##
+JS and CSS (used in HTML output format) are now hosted on cdn.rawgit.com server - no local config needed
+
+
+PS :If Galaxy can't find the file "hmdb.tmpl", perform this command line : perl -pi -e 's/\r//g' conf_hmdb.cfg
+--
+
+## --- XML HELP PART --- ##
+one image :
+hmdb.png
+--
+
+## --- DATASETS OR TUTORIAL --- ##
+Please find help on W4M: http://workflow4metabolomics.org/howto
+--
+
+## --- ??? COMMENTS ??? --- ##
+If Galaxy can't find the file "hmdb.tmpl", perform this command line : " perl -pi -e 's/\r//g' " on the conf file "conf_hmdb.cfg".
+
+To use fully functionalities of HTML output format file :
+  - check that sanitize_all_html option in universe_wsgi.ini file is uncomment and set to FALSE.
+--
\ No newline at end of file
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/conf_hmdb.cfg	Wed Nov 23 09:31:50 2016 -0500
@@ -0,0 +1,17 @@
+## Conf file for wsdl_hmdb.pl script
+#
+## Version -- edited by F.Giacomoni
+VERSION=2016-11-28
+#
+## ARGVT
+# Hmdb limits per job (max is 149)
+HMDB_LIMITS=50
+## Maximum query filtered (default is 20 - min : 1 / max 50)
+HMDB_MAX_QUERY=20
+## Galaxy url for HTML JS and CSS path
+JS_GALAXY_PATH=https://cdn.rawgit.com/fgiacomoni/galaxy_utils/master/scripts
+CSS_GALAXY_PATH=https://cdn.rawgit.com/fgiacomoni/galaxy_utils/master/style
+#
+## HTML OUTPUT :
+HTML_ENTRIES_PER_PAGE=4
+HMDB_METABOCARD_URL=http://www.hmdb.ca/metabolites/
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/hmdb.tmpl	Wed Nov 23 09:31:50 2016 -0500
@@ -0,0 +1,1 @@
+<?xml version="1.0" encoding="UTF-8" ?><!DOCTYPE html><html lang="en"><head><meta charset="utf-8"><meta name="viewport" content="width=device-width, initial-scale=1.0"><meta name="description" content=""><meta name="author" content="INRA de Clermont-Ferrand"><title>Galaxy HMDB queries - All results</title><link rel="stylesheet" type="text/css" href="css.php" media="all"><link rel="stylesheet" type="text/css" href="<TMPL_VAR NAME=CSS_GALAXY_PATH>/simplePagination.css"/><!-- JavaScript --><script src="https://ajax.googleapis.com/ajax/libs/jquery/1.7.2/jquery.min.js"></script><script src="<TMPL_VAR NAME=JS_GALAXY_PATH>/jquery.simplePagination.js"></script><style type="text/css">body {padding-top: 70px}div.lm-table-warning {  font-size: 1.4em;  font-weight: bold;  padding-right: 25px;  color: #21536a;  margin-left: 3px;}tr.green td  {background-color: #eaf2d3; color: black;}tr.blank td {background-color: #9999CC; color: black;}table {font-family:'Trebuchet MS',Arial,Helvetica,sans-serif;width:100%;border-collapse:collapse;}table.detail, table.detail tr.parent, table.detail td, table.detail th, table.detail tr.category {border-collapse:collapse;border:1px solid #98bf21;}table.detail th {font-size: 1.2em;text-align: center;padding-top: 5px;padding-bottom: 10px;background-color: #a7c942;color: #ffffff;}td.ca {text-align:center;}footer {  margin: 50px 0;}</style><script>function test(pageNumber){  var page="#page-id-"+pageNumber;  $('.select').hide() ; $(page).show()}</script></head><body><div class="container"><div class="lm-table-warning">Results of HMDB queries - <TMPL_VAR NAME=CONDITIONS></div><div id="detail_table_source" style="display:none"></div><p><div id="choose"></div><p><div id="ms_search_0" class="ms-search-table"></div><!-- HeadRows--><table id="detail_table" class="detail"><col style="width:30px;"><!-- Ids (m/z)--><col style="width:30px;"><!-- Mass (m/z)--><col style="width:120px;"><!-- Met name--><col style="width:50px;"><!-- Cpd ID--><col style="width:40px;"><!-- formula--><col style="width:60px;"><!-- cpd mw--><col style="width:50px;"><!-- adduct --><col style="width:20px;"><!-- adduct type--><col style="width:60px;"><!-- adduct mw--><col style="width:50px;"><!-- delta--><col style="width:120px;"><!-- INCHI--><col style="width:20;"><!-- logP--><thead><th>ID from input</th><th>Mass (m/z)</th><th>Metabolite_Name</th><th>Compound_ID</th><th>Formula</th><th>Compound MW (Da)</th><th>Adduct</th><th>Adduct_Type</th><th>Adduct MW (Da)</th><th>Delta</th><th>InChI Identifier</th><th>Predicted LogP (ALOGPS)</th></thead><TMPL_LOOP NAME=PAGES><tbody class="select" id="page-id-<TMPL_VAR NAME=PAGE_NB>"><TMPL_LOOP NAME=MASSES><tr class="<TMPL_VAR NAME=MZ_COLOR>"><td class="ca" ><TMPL_VAR NAME=MASSES_ID_QUERY></td><td id="<TMPL_VAR NAME=MASSES_NB>" class="ca" ><TMPL_VAR NAME=MASSES_MZ_QUERY></td><td class="ca" colspan="10"></td></tr><TMPL_LOOP NAME=ENTRIES><tr class="<TMPL_VAR NAME=ENTRY_COLOR>"><td class="ca" colspan="2"></td><td class="ca"><TMPL_VAR NAME=ENTRY_ENTRY_NAME></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/<TMPL_VAR NAME=ENTRY_ENTRY_ID2>" target="_blank" class="btn"><TMPL_VAR NAME=ENTRY_ENTRY_ID></a></td><td class="ca"><TMPL_VAR NAME=ENTRY_FORMULA></td><td class="ca"><TMPL_VAR NAME=ENTRY_CPD_MZ></td><td class="ca"><TMPL_VAR NAME=ENTRY_ADDUCT></td><td class="ca"><TMPL_VAR NAME=ENTRY_ADDUCT_TYPE></td><td class="ca"><TMPL_VAR NAME=ENTRY_ADDUCT_MZ></td><td class="ca"><TMPL_VAR NAME=ENTRY_DELTA></td><td class="ca"><TMPL_VAR NAME=ENTRY_ENTRY_INCHI></td><td class="ca"><TMPL_VAR NAME=ENTRY_ENTRY_LOGP></td></tr></TMPL_LOOP></TMPL_LOOP></tbody></TMPL_LOOP></table></div><div class="container"><hr><footer><div class="row">  <div class="col-lg-12"><p>Copyright &copy; INRA, N Paulhe, F Giacomoni 2014 </p>  </div> </div> </footer></div><script language="javascript">$(function() {$('#choose').pagination({items: <TMPL_VAR NAME=PAGES_NB>,itemsOnPage: 1,currentPage: 1,onInit: function () { test(1); },cssStyle: 'light-theme',onPageClick: function(pageNumber){test(pageNumber)}}).pagination('redraw');});</script></body></html>
\ No newline at end of file
--- a/hmdb/README.txt	Thu Jan 28 10:52:26 2016 -0500
+++ /dev/null	Thu Jan 01 00:00:00 1970 +0000
@@ -1,65 +0,0 @@
-## ****** HMDB environnemnt : ****** ##
-# version January 2016 M Landi / F Giacomoni - INRA - METABOHUB - workflow4metabolomics.org core team
-
-## --- PERL compilator / libraries : --- ##
-$ perl -v
-This is perl, v5.10.1 (*) built for x86_64-linux-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 ;
-use Encode;
-
-# libs CPAN PERL :
-$ perl -e 'use Text::CSV'
-$ perl -e 'use LWP::Simple'
-$ perl -e 'use URI::URL'
-$ perl -e 'use SOAP::Lite'
-$ perl -e 'use HTML::Template'
-$ sudo perl -MCPAN -e shell
-cpan> install Text::CSV
-cpan> install LWP::Simple
-cpan> install URI::URL
-cpan> install SOAP::Lite
-cpan>  install HTML::Template
-
-# libs pfem PERL : this lib were included in lib dir.
-use conf::conf  qw( :ALL ) ;
-use formats::csv  qw( :ALL ) ;
---
-
-## --- R bin and Packages : --- ##
-No interaction with R
---
-
-## --- Binary dependencies --- ##
-No interaction with binary - use only HMDB post method (http://www.hmdb.ca/spectra/ms/search?)
---
-
-## --- Config : --- ##
-JS and CSS (used in HTML output format) are now hosted on cdn.rawgit.com server - no local config needed
-
-
-PS :If Galaxy can't find the file "hmdb.tmpl", perform this command line : perl -pi -e 's/\r//g' conf_hmdb.cfg
---
-
-## --- XML HELP PART --- ##
-one image :
-hmdb.png
---
-
-## --- DATASETS OR TUTORIAL --- ##
-Please find help on W4M :
---
-
-## --- ??? COMMENTS ??? --- ##
-If Galaxy can't find the file "hmdb.tmpl", perform this command line : " perl -pi -e 's/\r//g' " on the conf file "conf_hmdb.cfg".
-
-To use fully functionalities of HTML output format file :
-  - check that sanitize_all_html option in universe_wsgi.ini file is uncomment and set to FALSE.
---
\ No newline at end of file
--- a/hmdb/conf_hmdb.cfg	Thu Jan 28 10:52:26 2016 -0500
+++ /dev/null	Thu Jan 01 00:00:00 1970 +0000
@@ -1,14 +0,0 @@
-## Conf file for wsdl_hmdb.pl script
-#
-## Version -- edited by F.Giacomoni
-VERSION=2015-06-08
-#
-## ARGVT
-# Hmdb limits per job (max is 149)
-HMDB_LIMITS=50
-## Galaxy url for HTML JS and CSS path
-JS_GALAXY_PATH=https://cdn.rawgit.com/fgiacomoni/galaxy_utils/master/scripts
-CSS_GALAXY_PATH=https://cdn.rawgit.com/fgiacomoni/galaxy_utils/master/style
-#
-## HTML OUTPUT :
-HTML_ENTRIES_PER_PAGE=4
--- a/hmdb/hmdb.tmpl	Thu Jan 28 10:52:26 2016 -0500
+++ /dev/null	Thu Jan 01 00:00:00 1970 +0000
@@ -1,1 +0,0 @@
-<?xml version="1.0" encoding="UTF-8" ?><!DOCTYPE html><html lang="en"><head><meta charset="utf-8"><meta name="viewport" content="width=device-width, initial-scale=1.0"><meta name="description" content=""><meta name="author" content="INRA de Clermont-Ferrand"><title>Galaxy HMDB queries - All results</title><link rel="stylesheet" type="text/css" href="css.php" media="all"><link rel="stylesheet" type="text/css" href="<TMPL_VAR NAME=CSS_GALAXY_PATH>/simplePagination.css"/><!-- JavaScript --><script src="https://ajax.googleapis.com/ajax/libs/jquery/1.7.2/jquery.min.js"></script><script src="<TMPL_VAR NAME=JS_GALAXY_PATH>/jquery.simplePagination.js"></script><style type="text/css">body {padding-top: 70px}div.lm-table-warning {  font-size: 1.4em;  font-weight: bold;  padding-right: 25px;  color: #21536a;  margin-left: 3px;}tr.green td  {background-color: #eaf2d3; color: black;}tr.blank td {background-color: #9999CC; color: black;}table {font-family:'Trebuchet MS',Arial,Helvetica,sans-serif;width:100%;border-collapse:collapse;}table.detail, table.detail tr.parent, table.detail td, table.detail th, table.detail tr.category {border-collapse:collapse;border:1px solid #98bf21;}table.detail th {font-size: 1.2em;text-align: center;padding-top: 5px;padding-bottom: 10px;background-color: #a7c942;color: #ffffff;}td.ca {text-align:center;}footer {  margin: 50px 0;}</style><script>function test(pageNumber){  var page="#page-id-"+pageNumber;  $('.select').hide() ; $(page).show()}</script></head><body><div class="container"><div class="lm-table-warning">Results of HMDB queries - <TMPL_VAR NAME=CONDITIONS></div><div id="detail_table_source" style="display:none"></div><p><div id="choose"></div><p><div id="ms_search_0" class="ms-search-table"></div><!-- HeadRows--><table id="detail_table" class="detail"><col style="width:30px;"><!-- Ids (m/z)--><col style="width:30px;"><!-- Mass (m/z)--><col style="width:30px;"><!-- Compound--><col style="width:120px;"><!-- name--><col style="width:40px;"><!-- adduct--><col style="width:50px;"><!-- adduct type--><col style="width:60px;"><!-- adduct mw--><col style="width:60px;"><!-- cpd mw--><col style="width:50px;"><!-- delta--><thead><th>ID from input</th><th>Mass (m/z)</th><th>Compound_ID</th><th>Formula</th><th>Compound MW (Da)</th><th>Adduct</th><th>Adduct_Type</th><th>Adduct MW (Da)</th><th>Delta</th></thead><TMPL_LOOP NAME=PAGES><tbody class="select" id="page-id-<TMPL_VAR NAME=PAGE_NB>"><TMPL_LOOP NAME=MASSES><tr class="<TMPL_VAR NAME=MZ_COLOR>"><td class="ca" ><TMPL_VAR NAME=MASSES_ID_QUERY></td><td id="<TMPL_VAR NAME=MASSES_NB>" class="ca" ><TMPL_VAR NAME=MASSES_MZ_QUERY></td><td class="ca" colspan="7"></td></tr><TMPL_LOOP NAME=ENTRIES><tr class="<TMPL_VAR NAME=ENTRY_COLOR>"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/<TMPL_VAR NAME=ENTRY_ENTRY_ID2>" target="_blank" class="btn"><TMPL_VAR NAME=ENTRY_ENTRY_ID></a></td><td class="ca"><TMPL_VAR NAME=ENTRY_FORMULA></td><td class="ca"><TMPL_VAR NAME=ENTRY_CPD_MZ></td><td class="ca"><TMPL_VAR NAME=ENTRY_ADDUCT></td><td class="ca"><TMPL_VAR NAME=ENTRY_ADDUCT_TYPE></td><td class="ca"><TMPL_VAR NAME=ENTRY_ADDUCT_MZ></td><td class="ca"><TMPL_VAR NAME=ENTRY_DELTA></td></tr></TMPL_LOOP></TMPL_LOOP></tbody></TMPL_LOOP></table></div><div class="container"><hr><footer><div class="row">  <div class="col-lg-12"><p>Copyright &copy; INRA, N Paulhe, F Giacomoni 2014 </p>  </div> </div> </footer></div><script language="javascript">$(function() {$('#choose').pagination({items: <TMPL_VAR NAME=PAGES_NB>,itemsOnPage: 1,currentPage: 1,onInit: function () { test(1); },cssStyle: 'light-theme',onPageClick: function(pageNumber){test(pageNumber)}}).pagination('redraw');});</script></body></html>
\ No newline at end of file
--- a/hmdb/lib/conf.pm	Thu Jan 28 10:52:26 2016 -0500
+++ /dev/null	Thu Jan 01 00:00:00 1970 +0000
@@ -1,259 +0,0 @@
-package lib::conf ;
-
-use strict;
-use warnings ;
-use Exporter ;
-use Carp ;
-use Data::Dumper ;
-
-use vars qw($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 cr�er l'object conf � 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 � 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 � 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 v�rifier les path et la pr�sence des exe d�crits 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
--- a/hmdb/lib/csv.pm	Thu Jan 28 10:52:26 2016 -0500
+++ /dev/null	Thu Jan 01 00:00:00 1970 +0000
@@ -1,239 +0,0 @@
-package lib::csv ;
-
-use strict;
-use warnings ;
-use Exporter ;
-use Carp ;
-
-use Text::CSV ;
-
-use Data::Dumper ;
-
-use vars qw($VERSION @ISA @EXPORT %EXPORT_TAGS);
-
-our $VERSION = "1.0";
-our @ISA = qw(Exporter);
-our @EXPORT = qw( get_csv_object get_value_from_csv_multi_header );
-our %EXPORT_TAGS = ( ALL => [qw( get_csv_object get_value_from_csv_multi_header )] );
-
-=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_csv_object
-
-	## Description : builds a csv object and etablishes format
-	## Input : $separator
-	## Output : $csv
-	## Usage : my ( $csv ) = get_csv_object( $separator ) ;
-
-=cut
-## START of SUB
-sub get_csv_object {
-	## Retrieve Values
-    my $self = shift ;
-    my ( $separator ) = @_ ;
-
-#    my $csv = Text::CSV->new({'sep_char' => "$separator"});
-    my $csv = Text::CSV->new ( {'sep_char' => "$separator", binary => 1 } )  # should set binary attribute.
-    	or die "Cannot use CSV: ".Text::CSV->error_diag ();
-
-    return($csv) ;
-}
-## END of SUB
-
-=head2 METHOD get_value_from_csv_multi_header
-
-	## Description : extract a targeted column in a csv file
-	## Input : $csv, $file, $column, $is_header, $nb_header
-	## Output : $value
-	## Usage : my ( $value ) = get_value_from_csv_multi_header( $csv, $file, $column, $is_header, $nb_header ) ;
-
-=cut
-## START of SUB
-sub get_value_from_csv_multi_header {
-	## Retrieve Values
-    my $self = shift ;
-    my ( $csv, $file, $column, $is_header, $nb_header ) = @_ ;
-
-    my @value = () ;
-
-    ## Adapte the number of the colunm : (nb of column to position in array)
-	$column = $column - 1 ;
-
-    open (CSV, "<", $file) or die $! ;
-
-	my $line = 0 ;
-
-	while (<CSV>) {
-		$line++ ;
-	    chomp $_ ;
-		# file has a header
-		if ( defined $is_header and $is_header eq 'yes') { if ($line <= $nb_header) { next ; } }
-		# parsing the targeted column
-	    if ( $csv->parse($_) ) {
-	        my @columns = $csv->fields();
-	        push ( @value, $columns[$column] ) ;
-	    }
-	    else {
-	        my $err = $csv->error_input;
-	        die "Failed to parse line: $err";
-	    }
-	}
-	close CSV;
-    return(\@value) ;
-}
-## END of SUB
-
-=head2 METHOD parse_csv_object
-
-	## Description : parse_all csv object and return a array of rows
-	## Input : $csv, $file
-	## Output : $csv_matrix
-	## Usage : my ( $csv_matrix ) = parse_csv_object( $csv, $file ) ;
-
-=cut
-## START of SUB
-sub parse_csv_object {
-	## Retrieve Values
-    my $self = shift ;
-    my ( $csv, $file ) = @_ ;
-
-    my @csv_matrix = () ;
-
-	open my $fh, "<:encoding(utf8)", $$file or die "Can't open csv file $$file: $!";
-
-	while ( my $row = $csv->getline( $fh ) ) {
-	    push @csv_matrix, $row;
-	}
-	$csv->eof or $csv->error_diag();
-	close $fh;
-
-    return(\@csv_matrix) ;
-}
-## END of SUB
-
-=head2 METHOD parse_allcsv_object
-
-	## Description : parse_all csv object and return a array of rows with or without header
-	## Input : $csv, $file, $keep_header
-	## Output : $csv_matrix
-	## Usage : my ( $csv_matrix ) = parse_csv_object( $csv, $file, $keep_header ) ;
-
-=cut
-## START of SUB
-sub parse_allcsv_object {
-	## Retrieve Values
-    my $self = shift ;
-    my ( $csv, $file, $keep_header ) = @_ ;
-
-    my @csv_matrix = () ;
-    my $line = 1 ;
-
-	open my $fh, "<:encoding(utf8)", $$file or die "Can't open csv file $$file: $!";
-
-	while ( my $row = $csv->getline( $fh ) ) {
-		if ( ( $keep_header eq 'n' )  and ($line == 1) ) {  }
-		else { push @csv_matrix, $row; }
-	    $line ++ ;
-	}
-	my $status = $csv->eof or $csv->error_diag();
-	close $fh;
-
-    return(\@csv_matrix, $status) ;
-}
-## END of SUB
-
-
-=head2 METHOD write_csv_from_arrays
-
-	## Description : write a csv file from list of rows
-	## Input : $csv, $file_name, $rows
-	## Output : $csv_file
-	## Usage : my ( $csv_file ) = write_csv_from_arrays( $csv, $file_name, $rows ) ;
-
-=cut
-## START of SUB
-sub write_csv_from_arrays {
-	## Retrieve Values
-    my $self = shift ;
-    my ( $csv, $file_name, $rows ) = @_ ;
-
-    my $fh = undef ;
-    $csv->eol ("\n"); ##  end-of-line string to add to rows
-    open $fh, ">:encoding(utf8)", "$file_name" or die "$file_name: $!";
-
-	my $status = $csv->print ($fh, $_) for @{$rows};
-	close $fh or die "$file_name: $!";
-
-    return(\$file_name) ;
-}
-## END of SUB
-
-1 ;
-
-
-__END__
-
-=head1 SUPPORT
-
-You can find documentation for this module with the perldoc command.
-
- perldoc csv.pm
-
-=head1 Exports
-
-=over 4
-
-=item :ALL is get_csv_object, get_value_from_csv_multi_header
-
-=back
-
-=head1 AUTHOR
-
-Franck Giacomoni E<lt>franck.giacomoni@clermont.inra.frE<gt>
-
-=head1 LICENSE
-
-This program is free software; you can redistribute it and/or modify it under the same terms as Perl itself.
-
-=head1 VERSION
-
-version 1 : 23 / 10 / 2013
-
-version 2 : ??
-
-=cut
\ No newline at end of file
--- a/hmdb/lib/hmdb.pm	Thu Jan 28 10:52:26 2016 -0500
+++ /dev/null	Thu Jan 01 00:00:00 1970 +0000
@@ -1,889 +0,0 @@
-package lib::hmdb ;
-
-use strict;
-use warnings ;
-use Exporter ;
-use Carp ;
-
-use LWP::Simple;
-use LWP::UserAgent;
-use URI::URL;
-use SOAP::Lite;
-use Encode;
-use HTML::Template ;
-
-use Data::Dumper ;
-
-use vars qw($VERSION @ISA @EXPORT %EXPORT_TAGS);
-
-our $VERSION = "1.0";
-our @ISA = qw(Exporter);
-our @EXPORT = qw( extract_sub_mz_lists test_matches_from_hmdb_ua prepare_multi_masses_query get_matches_from_hmdb_ua parse_hmdb_csv_results set_html_tbody_object add_mz_to_tbody_object add_entries_to_tbody_object write_html_skel set_lm_matrix_object set_hmdb_matrix_object_with_ids add_lm_matrix_to_input_matrix write_csv_skel write_csv_one_mass );
-our %EXPORT_TAGS = ( ALL => [qw( extract_sub_mz_lists test_matches_from_hmdb_ua prepare_multi_masses_query get_matches_from_hmdb_ua parse_hmdb_csv_results set_html_tbody_object add_mz_to_tbody_object add_entries_to_tbody_object write_html_skel set_lm_matrix_object set_hmdb_matrix_object_with_ids add_lm_matrix_to_input_matrix write_csv_skel write_csv_one_mass )] );
-
-=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 extract_sub_mz_lists
-
-	## Description : extract a couples of sublist from a long mz list (more than $HMDB_LIMITS)
-	## Input : $HMDB_LIMITS, $masses
-	## Output : $sublists
-	## Usage : my ( $sublists ) = extract_sub_mz_lists( $HMDB_LIMITS, $masses ) ;
-
-=cut
-## START of SUB
-sub extract_sub_mz_lists {
-	## Retrieve Values
-    my $self = shift ;
-    my ( $masses, $HMDB_LIMITS ) = @_ ;
-
-    my ( @sublists, @sublist ) = ( (), () ) ;
-    my $nb_mz = 0 ;
-    my $nb_total_mzs = scalar(@{$masses}) ;
-
-    if ($nb_total_mzs == 0) {
-    	die "The provided mzs list is empty" ;
-    }
-
-    for ( my $current_pos = 0 ; $current_pos < $nb_total_mzs ; $current_pos++ ) {
-
-    	if ( $nb_mz < $HMDB_LIMITS ) {
-    		if ( $masses->[$current_pos] ) { 	push (@sublist, $masses->[$current_pos]) ; $nb_mz++ ;	} # build sub list
-    	}
-    	elsif ( $nb_mz == $HMDB_LIMITS ) {
-    		my @tmp = @sublist ; push (@sublists, \@tmp) ; @sublist = () ;	$nb_mz = 0 ;
-    		$current_pos-- ;
-    	}
-    	if ($current_pos == $nb_total_mzs-1) { 	my @tmp = @sublist ; push (@sublists, \@tmp) ; }
-	}
-    return(\@sublists) ;
-}
-## END of SUB
-
-=head2 METHOD prepare_multi_masses_query
-
-	## Description : Generate the adapted format of the mz list for HMDB
-	## Input : $masses
-	## Output : $hmdb_masses
-	## Usage : my ( $hmdb_masses ) = prepare_multi_masses_query( $masses ) ;
-
-=cut
-## START of SUB
-sub prepare_multi_masses_query {
-	## Retrieve Values
-    my $self = shift ;
-    my ( $masses ) = @_ ;
-
-    my $hmdb_masses = undef ;
-    my $sep = '%0D%0A' ; ## retour chariot encode
-    my ($nb_masses, $i) = (0, 0) ;
-
-    if ( defined $masses ) {
-    	my @masses = @{$masses} ;
-    	my $nb_masses = scalar ( @masses ) ;
-    	if ( $nb_masses == 0 ) { croak "The input method parameter mass list is empty" ; }
-    	elsif ( $nb_masses >= 150 ) { croak "Your mass list is too long : HMDB allows maximum 150 query masses per request \n" ; } ## Del it --- temporary patch
-
-	    foreach my $mass (@masses) {
-
-	    	if ($i < $nb_masses) {
-	    		$hmdb_masses .= $mass.$sep ;
-	    	}
-	    	elsif ( $i == $nb_masses ) {
-	    		$hmdb_masses .= $mass ;
-	    	}
-	    	else {
-	    		last ;
-	    	}
-	    	$i ++ ;
-	    }
-    }
-    else {
-    	croak "No mass list found \n" ;
-    }
-    return($hmdb_masses, $nb_masses) ;
-}
-## END of SUB
-
-=head2 METHOD test_matches_from_hmdb_ua
-
-	## Description : test a single query with tests parameters on hmdb - get the status of the complete server infra.
-	## Input : none
-	## Output : $status_line
-	## Usage : my ( $status_line ) = test_matches_from_hmdb_ua( ) ;
-
-=cut
-## START of SUB
-sub test_matches_from_hmdb_ua {
-	## Retrieve Values
-    my $self = shift ;
-
-    my @page = () ;
-
-	my $ua = new LWP::UserAgent;
-	$ua->agent("Mozilla/5.0 (Windows NT 6.1) AppleWebKit/537.36 (KHTML, like Gecko) Chrome/34.0.1847.131 Safari/537.36");
-
-	my $req = HTTP::Request->new(
-	    POST => 'http://specdb.wishartlab.com/ms/search.csv');
-
-	$req->content_type('application/x-www-form-urlencoded');
-	$req->content('utf8=TRUE&mode=positive&query_masses=420.159317&tolerance=0.000001&database=HMDB&commit=Download Results As CSV');
-
-	my $res = $ua->request($req);
-#	print $res->as_string;
-	my $status_line = $res->status_line ;
-	($status_line) = ($status_line =~ /(\d+)/);
-
-
-	return (\$status_line) ;
-}
-## END of SUB
-
-=head2 METHOD check_state_from_hmdb_ua
-
-	## Description : check the thhp status of hmdb and kill correctly the script if necessary.
-	## Input : $status
-	## Output : none
-	## Usage : check_state_from_hmdb_ua($status) ;
-
-=cut
-## START of SUB
-sub check_state_from_hmdb_ua {
-	## Retrieve Values
-    my $self = shift ;
-    my ($status) = @_ ;
-
-    if (!defined $$status) {
-    	croak "No http status is defined for the distant server" ;
-    }
-    else {
-    	unless ( $$status == 200 ) {
-    		if  ( $$status == 504 ) { croak "Gateway Timeout: The HMDB server was acting as a gateway or proxy and did not receive a timely response from the upstream server" ; }
-    		else {
-    			## None supported http code error ##
-    		}
-    	}
-    }
-
-    return (1) ;
-}
-## END of SUB
-
-=head2 METHOD get_matches_from_hmdb_ua
-
-	## Description : HMDB querying via an user agent with parameters : mz, delta and molecular species (neutral, pos, neg)
-	## Input : $mass, $delta, $mode
-	## Output : $results
-	## Usage : my ( $results ) = get_matches_from_hmdb( $mass, $delta, $mode ) ;
-
-=cut
-## START of SUB
-sub get_matches_from_hmdb_ua {
-	## Retrieve Values
-    my $self = shift ;
-    my ( $masses, $delta, $mode ) = @_ ;
-
-    my @page = () ;
-
-	my $ua = new LWP::UserAgent;
-	$ua->agent("Mozilla/5.0 (Windows NT 6.1) AppleWebKit/537.36 (KHTML, like Gecko) Chrome/34.0.1847.131 Safari/537.36");
-
-	my $req = HTTP::Request->new(
-	    POST => 'http://specdb.wishartlab.com/ms/search.csv');
-
-	$req->content_type('application/x-www-form-urlencoded');
-	$req->content('utf8=TRUE&mode='.$mode.'&query_masses='.$masses.'&tolerance='.$delta.'&database=HMDB&commit=Download Results As CSV');
-
-	my $res = $ua->request($req);
-#	print $res->as_string;
-	if ($res->is_success) {
-	     @page = split ( /\n/, $res->decoded_content ) ;
-	 } else {
-	 	my $status_line = $res->status_line ;
-	 	($status_line) = ($status_line =~ /(\d+)/);
-	 	croak "HMDB service none available !! Status of the HMDB server is : $status_line\n" ;
-	 }
-
-
-	return (\@page) ;
-}
-## END of SUB
-
-=head2 METHOD parse_hmdb_csv_results
-
-	## Description : parse the csv results and get data
-	## Input : $csv
-	## Output : $results
-	## Usage : my ( $results ) = parse_hmdb_csv_results( $csv ) ;
-
-=cut
-## START of SUB
-sub parse_hmdb_csv_results {
-	## Retrieve Values
-    my $self = shift ;
-    my ( $csv, $masses ) = @_ ;
-
-    my $test = 0 ;
-    my ($query_mass,$compound_id,$formula,$compound_mass,$adduct,$adduct_type,$adduct_mass,$delta) = (0, undef, undef, undef, undef, undef, undef, undef) ;
-
-    my %result_by_entry = () ;
-    my %features = () ;
-
-#    print Dumper $csv ;
-
-    foreach my $line (@{$csv}) {
-
-    	if ($line !~ /query_mass,compound_id,formula,compound_mass,adduct,adduct_type,adduct_mass,delta/) {
-    		my @entry = split(/,/, $line) ;
-
-    		if ( !exists $result_by_entry{$entry[0]} ) { $result_by_entry{$entry[0]} = [] ; }
-
-    		$features{ENTRY_ENTRY_ID} = $entry[1] ;
-    		$features{ENTRY_FORMULA} = $entry[2] ;
-    		$features{ENTRY_CPD_MZ} = $entry[3] ;
-    		$features{ENTRY_ADDUCT} = $entry[4] ;
-    		$features{ENTRY_ADDUCT_TYPE} = $entry[5] ;
-    		$features{ENTRY_ADDUCT_MZ} = $entry[6] ;
-    		$features{ENTRY_DELTA} = $entry[7] ;
-
-    		my %temp = %features ;
-
-    		push (@{$result_by_entry{$entry[0]} }, \%temp) ;
-    	}
-    	else {
-    		next ;
-    	}
-    } ## end foreach
-
-    ## manage per query_mzs (keep query masses order by array)
-    my @results = () ;
-    foreach (@{$masses}) {
-    	if ($result_by_entry{$_}) { push (@results, $result_by_entry{$_}) ; }
-    	else {push (@results, [] ) ;} ;
-    }
-    return(\@results) ;
-}
-## END of SUB
-
-=head2 METHOD parse_hmdb_page_results
-
-	## Description : [DEPRECATED] old HMDB html page parser
-	## Input : $page
-	## Output : $results
-	## Usage : my ( $results ) = parse_hmdb_page_result( $pages ) ;
-
-=cut
-## START of SUB
-sub parse_hmdb_page_results {
-	## Retrieve Values
-    my $self = shift ;
-    my ( $page ) = @_ ;
-
-    my @results = () ;
-    my ($catch_table, $catch_name) = (0, 0) ;
-    my ($name, $adduct, $adduct_mw, $cpd_mw, $delta) = (undef, undef, undef, undef, undef) ;
-
-    if ( defined $page ) {
-
-    	my @page = @{$page} ;
-    	my $ID = undef ;
-    	my @result_by_mz = () ;
-    	my %result_by_entry = () ;
-
-		foreach my $line (@page)   {
-
-			#Section de la page contenant les resultat
-			if( $line =~/<table>/ ) { $catch_table = 1 ; }
-
-			## Si il existe un resultat :
-			if($catch_table == 1) {
-
-			    #Id de la molecule, et creation du lien
-			    if( $line =~ /<a href=\"\/metabolites\/(\w+)\" (.*)>/ )  {
-			    	$ID = $1 ;
-			    	$catch_name = 0 ;
-			    	next ;
-			    }
-			    #Nom de la molecule ONLY!!
-			    if ( $catch_name == 0 ) {
-
-			    	if( $line =~ /<td>(.+)<\/td>/ ) {
-
-			    		if ( !defined $name ) {
-			    			$name = $1 ;
-			    			$result_by_entry{'ENTRY_ENTRY_ID'} = $ID ;
-					    	$result_by_entry{'ENTRY_NAME'} = $name ;
-					    	next ;
-			    		}
-			    		if ( !defined $adduct ) { $adduct = $1 ;  $result_by_entry{'ENTRY_ADDUCT'} = $adduct ; next ; }
-			    		if ( !defined $adduct_mw ) {  $adduct_mw = $1 ; $result_by_entry{'ENTRY_ADDUCT_MZ'} = $adduct_mw ; next ; 	}
-			    		if ( !defined $cpd_mw ) { $cpd_mw = $1 ; $result_by_entry{'ENTRY_CPD_MZ'} = $cpd_mw ; next ; 	}
-			    		if ( !defined $delta ) {
-			    			$delta = $1 ;
-			    			$result_by_entry{'ENTRY_DELTA'} = $delta ;
-			    			$catch_name = 1 ;
-			    			my %tmp = %result_by_entry ;
-			    			push (@result_by_mz, \%tmp) ;
-			    			%result_by_entry = () ;
-			    			( $name, $cpd_mw, $delta, $adduct, $adduct_mw ) = ( undef, undef, undef, undef, undef ) ;
-			    			next ;
-			    		}
-				    }
-			    }
-			}
-			#Fin de la section contenant les resultats
-			if( $line =~ /<\/table>/ ) {
-				$catch_table = 0 ;
-				my @Tmp = @result_by_mz ;
-				push(@results, \@Tmp) ;
-				@result_by_mz = () ;
-			}
-	    }
-    }
-    return(\@results) ;
-}
-## END of SUB
-
-=head2 METHOD set_html_tbody_object
-
-	## Description : initializes and build the tbody object (perl array) needed to html template
-	## Input : $nb_pages, $nb_items_per_page
-	## Output : $tbody_object
-	## Usage : my ( $tbody_object ) = set_html_tbody_object($nb_pages, $nb_items_per_page) ;
-
-=cut
-## START of SUB
-sub set_html_tbody_object {
-	my $self = shift ;
-    my ( $nb_pages, $nb_items_per_page ) = @_ ;
-
-	my ( @tbody_object ) = ( ) ;
-
-	for ( my $i = 1 ; $i <= $nb_pages ; $i++ ) {
-
-	    my %pages = (
-	    	# tbody feature
-	    	PAGE_NB => $i,
-	    	MASSES => [], ## end MASSES
-	    ) ; ## end TBODY N
-	    push (@tbody_object, \%pages) ;
-	}
-    return(\@tbody_object) ;
-}
-## END of SUB
-
-=head2 METHOD add_mz_to_tbody_object
-
-	## Description : initializes and build the mz object (perl array) needed to html template
-	## Input : $tbody_object, $nb_items_per_page, $mz_list
-	## Output : $tbody_object
-	## Usage : my ( $tbody_object ) = add_mz_to_tbody_object( $tbody_object, $nb_items_per_page, $mz_list ) ;
-
-=cut
-## START of SUB
-sub add_mz_to_tbody_object {
-	my $self = shift ;
-    my ( $tbody_object, $nb_items_per_page, $mz_list, $ids_list ) = @_ ;
-
-	my ( $current_page, $mz_index ) = ( 0, 0 ) ;
-
-	foreach my $page ( @{$tbody_object} ) {
-
-		my @colors = ('white', 'green') ;
-		my ( $current_index, , $icolor ) = ( 0, 0 ) ;
-
-		for ( my $i = 1 ; $i <= $nb_items_per_page ; $i++ ) {
-			#
-			if ( $current_index > $nb_items_per_page ) { ## manage exact mz per html page
-				$current_index = 0 ;
-				last ; ##
-			}
-			else {
-				$current_index++ ;
-				if ( $icolor > 1 ) { $icolor = 0 ; }
-
-				if ( exists $mz_list->[$mz_index]  ) {
-
-					my %mz = (
-						# mass feature
-						MASSES_ID_QUERY => $ids_list->[$mz_index],
-						MASSES_MZ_QUERY => $mz_list->[$mz_index],
-						MZ_COLOR => $colors[$icolor],
-						MASSES_NB => $mz_index+1,
-						ENTRIES => [] ,
-					) ;
-					push ( @{ $tbody_object->[$current_page]{MASSES} }, \%mz ) ;
-					# Html attr for mass
-					$icolor++ ;
-				}
-			}
-			$mz_index++ ;
-		} ## foreach mz
-
-		$current_page++ ;
-	}
-    return($tbody_object) ;
-}
-## END of SUB
-
-=head2 METHOD add_entries_to_tbody_object
-
-	## Description : initializes and build the entries object (perl array) needed to html template
-	## Input : $tbody_object, $nb_items_per_page, $mz_list, $entries
-	## Output : $tbody_object
-	## Usage : my ( $tbody_object ) = add_entries_to_tbody_object( $tbody_object, $nb_items_per_page, $mz_list, $entries ) ;
-
-=cut
-## START of SUB
-sub add_entries_to_tbody_object {
-	## Retrieve Values
-    my $self = shift ;
-    my ( $tbody_object, $nb_items_per_page, $mz_list, $entries ) = @_ ;
-
-    my $index_page = 0 ;
-    my $index_mz_continous = 0 ;
-
-    foreach my $page (@{$tbody_object}) {
-
-    	my $index_mz = 0 ;
-
-    	foreach my $mz (@{ $tbody_object->[$index_page]{MASSES} }) {
-
-    		my $index_entry = 0 ;
-
-    		my @anti_redondant = ('N/A') ;
-    		my $check_rebond = 0 ;
-    		my $check_noentry = 0 ;
-
-    		foreach my $entry (@{ $entries->[$index_mz_continous] }) {
-    			$check_noentry ++ ;
-    			## dispo anti doublons des entries
-    			foreach my $rebond (@anti_redondant) {
-    				if ( $rebond eq $entries->[$index_mz_continous][$index_entry]{ENTRY_ENTRY_ID} ) {	$check_rebond = 1 ; last ; }
-    			}
-
-    			if ( $check_rebond == 0 ) {
-
-    				 push ( @anti_redondant, $entries->[$index_mz_continous][$index_entry]{ENTRY_ENTRY_ID} ) ;
-
-    				my %entry = (
-		    			ENTRY_COLOR => $tbody_object->[$index_page]{MASSES}[$index_mz]{MZ_COLOR},
-		   				ENTRY_ENTRY_ID => $entries->[$index_mz_continous][$index_entry]{ENTRY_ENTRY_ID},
-		   				ENTRY_ENTRY_ID2 => $entries->[$index_mz_continous][$index_entry]{ENTRY_ENTRY_ID},
-						ENTRY_FORMULA => $entries->[$index_mz_continous][$index_entry]{ENTRY_FORMULA},
-						ENTRY_CPD_MZ => $entries->[$index_mz_continous][$index_entry]{ENTRY_CPD_MZ},
-						ENTRY_ADDUCT => $entries->[$index_mz_continous][$index_entry]{ENTRY_ADDUCT},
-						ENTRY_ADDUCT_TYPE => $entries->[$index_mz_continous][$index_entry]{ENTRY_ADDUCT_TYPE},
-						ENTRY_ADDUCT_MZ => $entries->[$index_mz_continous][$index_entry]{ENTRY_ADDUCT_MZ},
-						ENTRY_DELTA => $entries->[$index_mz_continous][$index_entry]{ENTRY_DELTA},
-		    		) ;
-
-	    			push ( @{ $tbody_object->[$index_page]{MASSES}[$index_mz]{ENTRIES} }, \%entry) ;
-    			}
-    			$check_rebond = 0 ; ## reinit double control
-    			$index_entry++ ;
-    		} ## end foreach
-    		if ($check_noentry == 0 ) {
-    			my %entry = (
-		    			ENTRY_COLOR => $tbody_object->[$index_page]{MASSES}[$index_mz]{MZ_COLOR},
-		   				ENTRY_ENTRY_ID => 'No_result_found_on_HMDB',
-		   				ENTRY_ENTRY_ID2 => '',
-						ENTRY_FORMULA => 'n/a',
-						ENTRY_CPD_MZ => 'n/a',
-						ENTRY_ADDUCT => 'n/a',
-						ENTRY_ADDUCT_TYPE => 'n/a',
-						ENTRY_ADDUCT_MZ => 'n/a',
-						ENTRY_DELTA => 0,
-		    		) ;
-		    		push ( @{ $tbody_object->[$index_page]{MASSES}[$index_mz]{ENTRIES} }, \%entry) ;
-    		}
-    		$index_mz ++ ;
-    		$index_mz_continous ++ ;
-    	}
-    	$index_page++ ;
-    }
-    return($tbody_object) ;
-}
-## END of SUB
-
-=head2 METHOD write_html_skel
-
-	## Description : prepare and write the html output file
-	## Input : $html_file_name, $html_object, $html_template
-	## Output : $html_file_name
-	## Usage : my ( $html_file_name ) = write_html_skel( $html_file_name, $html_object ) ;
-
-=cut
-## START of SUB
-sub write_html_skel {
-	## Retrieve Values
-    my $self = shift ;
-    my ( $html_file_name,  $html_object, $pages , $search_condition, $html_template, $js_path, $css_path ) = @_ ;
-
-    my $html_file = $$html_file_name ;
-
-    if ( defined $html_file ) {
-		open ( HTML, ">$html_file" ) or die "Can't create the output file $html_file " ;
-
-		if (-e $html_template) {
-			my $ohtml = HTML::Template->new(filename => $html_template);
-			$ohtml->param(  JS_GALAXY_PATH => $js_path, CSS_GALAXY_PATH => $css_path  ) ;
-			$ohtml->param(  CONDITIONS => $search_condition  ) ;
-			$ohtml->param(  PAGES_NB => $pages  ) ;
-			$ohtml->param(  PAGES => $html_object  ) ;
-			print HTML $ohtml->output ;
-		}
-		else {
-			croak "Can't fill any html output : No template available ($html_template)\n" ;
-		}
-
-		close (HTML) ;
-    }
-    else {
-    	croak "No output file name available to write HTML file\n" ;
-    }
-    return(\$html_file) ;
-}
-## END of SUB
-
-=head2 METHOD set_lm_matrix_object
-
-	## Description : build the hmdb_row under its ref form
-	## Input : $header, $init_mzs, $entries
-	## Output : $hmdb_matrix
-	## Usage : my ( $hmdb_matrix ) = set_lm_matrix_object( $header, $init_mzs, $entries ) ;
-
-=cut
-## START of SUB
-sub set_lm_matrix_object {
-	## Retrieve Values
-    my $self = shift ;
-    my ( $header, $init_mzs, $entries ) = @_ ;
-
-    my @hmdb_matrix = () ;
-
-    if ( defined $header ) {
-    	my @headers = () ;
-    	push @headers, $header ;
-    	push @hmdb_matrix, \@headers ;
-    }
-
-    my $index_mz = 0 ;
-
-    foreach my $mz ( @{$init_mzs} ) {
-
-    	my $index_entries = 0 ;
-    	my @clusters = () ;
-    	my $cluster_col = undef ;
-
-    	my @anti_redondant = ('N/A') ;
-    	my $check_rebond = 0 ;
-
-    	my $nb_entries = scalar (@{ $entries->[$index_mz] }) ;
-
-    	foreach my $entry (@{ $entries->[$index_mz] }) {
-
-    		## dispo anti doublons des entries
-    		foreach my $rebond (@anti_redondant) {
-    			if ( $rebond eq $entries->[$index_mz][$index_entries]{ENTRY_ENTRY_ID} ) {	$check_rebond = 1 ; last ; }
-    		}
-
-	    	if ( $check_rebond == 0 ) {
-
-	    		push ( @anti_redondant, $entries->[$index_mz][$index_entries]{ENTRY_ENTRY_ID} ) ;
-
-		    	my $delta = $entries->[$index_mz][$index_entries]{ENTRY_DELTA} ;
-	    		my $formula =  $entries->[$index_mz][$index_entries]{ENTRY_FORMULA} ;
-	    		my $hmdb_id = $entries->[$index_mz][$index_entries]{ENTRY_ENTRY_ID}  ;
-
-		    	## METLIN data display model
-		   		## entry1=VAR1::VAR2::VAR3::VAR4|entry2=VAR1::VAR2::VAR3::VAR4|...
-		   		# manage final pipe
-		   		if ($index_entries < $nb_entries-1 ) { 	$cluster_col .= $delta.'::('.$formula.')::'.$hmdb_id.'|' ; }
-		   		else { 						   			$cluster_col .= $delta.'::('.$formula.')::'.$hmdb_id ; 	}
-
-	    	}
-	    	$check_rebond = 0 ; ## reinit double control
-	    	$index_entries++ ;
-	    } ## end foreach
-	    if ( !defined $cluster_col ) { $cluster_col = 'No_result_found_on_HMDB' ; }
-    	push (@clusters, $cluster_col) ;
-    	push (@hmdb_matrix, \@clusters) ;
-    	$index_mz++ ;
-    }
-    return(\@hmdb_matrix) ;
-}
-## END of SUB
-
-=head2 METHOD set_hmdb_matrix_object_with_ids
-
-	## Description : build the hmdb_row under its ref form (IDS only)
-	## Input : $header, $init_mzs, $entries
-	## Output : $hmdb_matrix
-	## Usage : my ( $hmdb_matrix ) = set_hmdb_matrix_object_with_ids( $header, $init_mzs, $entries ) ;
-
-=cut
-## START of SUB
-sub set_hmdb_matrix_object_with_ids {
-	## Retrieve Values
-    my $self = shift ;
-    my ( $header, $init_mzs, $entries ) = @_ ;
-
-    my @hmdb_matrix = () ;
-
-    if ( defined $header ) {
-    	my @headers = () ;
-    	push @headers, $header ;
-    	push @hmdb_matrix, \@headers ;
-    }
-
-    my $index_mz = 0 ;
-
-    foreach my $mz ( @{$init_mzs} ) {
-
-    	my $index_entries = 0 ;
-    	my @clusters = () ;
-    	my $cluster_col = undef ;
-
-    	my @anti_redondant = ('N/A') ;
-    	my $check_rebond = 0 ;
-
-    	my $nb_entries = scalar (@{ $entries->[$index_mz] }) ;
-
-    	foreach my $entry (@{ $entries->[$index_mz] }) {
-
-    		## dispo anti doublons des entries
-    		foreach my $rebond (@anti_redondant) {
-    			if ( $rebond eq $entries->[$index_mz][$index_entries]{ENTRY_ENTRY_ID} ) {	$check_rebond = 1 ; last ; }
-    		}
-
-	    	if ( $check_rebond == 0 ) {
-
-	    		push ( @anti_redondant, $entries->[$index_mz][$index_entries]{ENTRY_ENTRY_ID} ) ;
-	    		my $hmdb_id = $entries->[$index_mz][$index_entries]{ENTRY_ENTRY_ID}  ;
-
-		    	## METLIN data display model -- IDs ONLY !!
-		   		## entry1=VAR1::VAR2::VAR3::VAR4|entry2=VAR1::VAR2::VAR3::VAR4|...
-		   		# manage final pipe
-		   		if ($index_entries < $nb_entries-1 ) { 	$cluster_col .= $hmdb_id.'|' ; }
-		   		else { 						   			$cluster_col .= $hmdb_id ; 	}
-
-	    	}
-	    	$check_rebond = 0 ; ## reinit double control
-	    	$index_entries++ ;
-	    } ## end foreach
-	    if ( !defined $cluster_col ) { $cluster_col = 'No_result_found_on_HMDB' ; }
-    	push (@clusters, $cluster_col) ;
-    	push (@hmdb_matrix, \@clusters) ;
-    	$index_mz++ ;
-    }
-    return(\@hmdb_matrix) ;
-}
-## END of SUB
-
-=head2 METHOD add_lm_matrix_to_input_matrix
-
-	## Description : build a full matrix (input + lm column)
-	## Input : $input_matrix_object, $lm_matrix_object, $nb_header
-	## Output : $output_matrix_object
-	## Usage : my ( $output_matrix_object ) = add_lm_matrix_to_input_matrix( $input_matrix_object, $lm_matrix_object, $nb_header ) ;
-
-=cut
-## START of SUB
-sub add_lm_matrix_to_input_matrix {
-	## Retrieve Values
-    my $self = shift ;
-    my ( $input_matrix_object, $lm_matrix_object, $nb_header ) = @_ ;
-
-    my @output_matrix_object = () ;
-    my $index_row = 0 ;
-    my $line = 0 ;
-
-    foreach my $row ( @{$input_matrix_object} ) {
-    	my @init_row = @{$row} ;
-    	$line++;
-
-    	if ( ( defined $nb_header ) and ( $line <= $nb_header) ) {
-    		push (@output_matrix_object, \@init_row) ;
-    		next ;
-    	}
-
-    	if ( $lm_matrix_object->[$index_row] ) {
-    		my $dim = scalar(@{$lm_matrix_object->[$index_row]}) ;
-
-    		if ($dim > 1) { warn "the add method can't manage more than one column\n" ;}
-    		my $lm_col =  $lm_matrix_object->[$index_row][$dim-1] ;
-
-   		 	push (@init_row, $lm_col) ;
-	    	$index_row++ ;
-    	}
-    	push (@output_matrix_object, \@init_row) ;
-    }
-    return(\@output_matrix_object) ;
-}
-## END of SUB
-
-=head2 METHOD write_csv_skel
-
-	## Description : prepare and write csv output file
-	## Input : $csv_file, $rows
-	## Output : $csv_file
-	## Usage : my ( $csv_file ) = write_csv_skel( $csv_file, $rows ) ;
-
-=cut
-## START of SUB
-sub write_csv_skel {
-	## Retrieve Values
-    my $self = shift ;
-    my ( $csv_file, $rows ) = @_ ;
-
-    my $ocsv = lib::csv::new() ;
-	my $csv = $ocsv->get_csv_object("\t") ;
-	$ocsv->write_csv_from_arrays($csv, $$csv_file, $rows) ;
-
-    return($csv_file) ;
-}
-## END of SUB
-
-=head2 METHOD write_csv_one_mass
-
-	## Description : print a cvs file
-	## Input : $masses, $ids, $results, $file
-	## Output : N/A
-	## Usage : write_csv_one_mass( $ids, $results, $file ) ;
-
-=cut
-## START of SUB
-sub write_csv_one_mass {
-	## Retrieve Values
-    my $self = shift ;
-    my ( $masses, $ids, $results, $file,  ) = @_ ;
-
-    open(CSV, '>:utf8', "$file") or die "Cant' create the file $file\n" ;
-    print CSV "ID\tMASS_SUBMIT\tHMDB_ID\tCPD_FORMULA\tCPD_MW\tDELTA\n" ;
-
-    my $i = 0 ;
-
-    foreach my $id (@{$ids}) {
-    	my $mass = undef ;
-    	if ( $masses->[$i] ) { 	$mass = $masses->[$i] ; 	}
-    	else {						last ; 					 	}
-
-    	if ( $results->[$i] ) { ## an requested id has a result in the list of hashes $results.
-
-    		my @anti_redondant = ('N/A') ;
-    		my $check_rebond = 0 ;
-    		my $check_noentry = 0 ;
-
-    		foreach my $entry (@{$results->[$i]}) {
-    			$check_noentry ++ ;
-    			## dispo anti doublons des entries
-	    		foreach my $rebond (@anti_redondant) {
-	    			if ( $rebond eq $entry->{ENTRY_ENTRY_ID} ) { $check_rebond = 1 ; last ; }
-	    		}
-#	    		print "\n-----------------------" ;
-#	    		print Dumper $entry->{ENTRY_ENTRY_ID} ;
-#	    		print "-------------------------$check_rebond\n" ;
-#		    	print Dumper @anti_redondant ;
-		    	if ( $check_rebond == 0 ) {
-
-		    		push ( @anti_redondant, $entry->{ENTRY_ENTRY_ID} ) ;
-
-	    			print CSV "$id\t$mass\t$entry->{ENTRY_ENTRY_ID}\t" ;
-	    			## print cpd name
-	    			if ( $entry->{ENTRY_FORMULA} ) { print CSV "$entry->{ENTRY_FORMULA}\t" ; }
-	    			else { 							 print CSV "N/A\t" ; }
-	    			## print cpd mw
-	    			if ( $entry->{ENTRY_CPD_MZ} ) { print CSV "$entry->{ENTRY_CPD_MZ}\t" ; }
-	    			else { 							print CSV "N/A\t" ; }
-	    			## print delta
-	    			if ( $entry->{ENTRY_DELTA} ) {  print CSV "$entry->{ENTRY_DELTA}\n" ; }
-	    			else { 							print CSV "N/A\n" ; }
-		    	}
-		    	$check_rebond = 0 ; ## reinit double control
-    		} ## end foreach
-    		if ($check_noentry == 0 ) {
-    			print CSV "$id\t$mass\t".'No_result_found_on_HMDB'."\tn/a\tn/a\t0\n" ;
-    		}
-    	}
-    	$i++ ;
-    }
-   	close(CSV) ;
-    return() ;
-}
-## END of SUB
-
-1 ;
-
-
-__END__
-
-=head1 SUPPORT
-
-You can find documentation for this module with the perldoc command.
-
- perldoc hmdb.pm
-
-=head1 Exports
-
-=over 4
-
-=item :ALL is ...
-
-=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 : 06 / 06 / 2013
-
-version 2 : 27 / 01 / 2014
-
-version 3 : 19 / 11 / 2014
-
-version 4 : 28 / 01 / 2016
-
-=cut
Binary file hmdb/static/images/hmdb.png has changed
--- a/hmdb/t/hmdb_managerTest.pl	Thu Jan 28 10:52:26 2016 -0500
+++ /dev/null	Thu Jan 01 00:00:00 1970 +0000
@@ -1,134 +0,0 @@
-#! perl
-use diagnostics;
-use warnings;
-no warnings qw/void/;
-use strict;
-no strict "refs" ;
-use Test::More qw( no_plan );
-use Test::Exception;
-use FindBin ;
-use Carp ;
-
-## Specific Modules
-use lib $FindBin::Bin ;
-my $binPath = $FindBin::Bin ;
-use lib::hmdbTest qw( :ALL ) ;
-
-
-## To launch the right sequence : API, MAPPER, THREADER, ...
-#my $sequence = 'MAPPER' ;
-my $sequence = 'MAIN' ;
-my $current_test = 1 ;
-
-if ($sequence eq "MAIN") {
-	print "\n\t\t\t\t  * * * * * * \n" ;
-	print "\t  * * * - - - Test HMDB Main script - - - * * * \n\n" ;
-
-
-	print "\n** Test $current_test extract_sub_mz_lists with an empty list of mzs **\n" ; $current_test++;
-
-	throws_ok{ extract_sub_mz_listsTest([], 3)} '/The provided mzs list is empty/', 'Method \'extract_sub_mz_lists\' detects empty argument and died correctly' ;
-
-	print "\n** Test $current_test extract_sub_mz_lists with a list of mzs and a limit of 3 **\n" ; $current_test++;
-	is_deeply( extract_sub_mz_listsTest(
-		['175.01', '238.19', '420.16', '780.32', '956.25', '1100.45' ], 3),
-		[ [ '175.01', '238.19', '420.16' ], [ '780.32', '956.25', '1100.45' ] ],
-		'Method \'extract_sub_mz_lists\' works with a list and return a well formated list of sublist of mzs');
-
-	print "\n** Test $current_test prepare_multi_masses_query with an empty list of mzs **\n" ; $current_test++;
-	throws_ok{ prepare_multi_masses_queryTest([])} '/The input method parameter mass list is empty/', 'Method \'prepare_multi_masses_query\' detects empty argument and died correctly' ;
-
-	print "\n** Test $current_test prepare_multi_masses_query with a list of mzs **\n" ; $current_test++;
-	is_deeply( prepare_multi_masses_queryTest(
-		['175.01', '238.19', '420.16', '780.32', '956.25', '1100.45' ] ),
-		'175.01%0D%0A238.19%0D%0A420.16%0D%0A780.32%0D%0A956.25%0D%0A1100.45%0D%0A',
-		'Method \'prepare_multi_masses_query\' works with a list of and return a well formated string for hmdb querying');
-
-	print "\n** Test $current_test get_matches_from_hmdb_ua with a well-formated string of mzs **\n" ; $current_test++;
-	is_deeply( get_matches_from_hmdb_uaTest(
-		'175.01%0D%0A420.16%0D%0A780.32%0D%0A956.25%0D%0A1100.45%0D%0A', 0.001, 'positive'),
-		[
-          'query_mass,compound_id,formula,compound_mass,adduct,adduct_type,adduct_mass,delta',
-          '175.01,HMDB60293,H2O3S2,113.94453531,M+IsoProp+H,+,175.009875,0.000125',
-          '175.01,HMDB03745,C2H6O3S2,141.975835438,M+CH3OH+H,+,175.009324,0.000676',
-          '175.01,HMDB31436,H4O4Si,95.987885149,M+DMSO+H,+,175.009105,0.000895',
-          '175.01,HMDB33657,C17H10O6,310.047738052,M+H+K,+,175.009086,0.000914',
-          '175.01,HMDB35230,C17H10O6,310.047738052,M+H+K,+,175.009086,0.000914',
-          '420.16,HMDB60838,C17H17N3O4S,359.093976737,M+IsoProp+H,+,420.159317,0.000683',
-          '420.16,HMDB60836,C17H17N3O4S,359.093976737,M+IsoProp+H,+,420.159317,0.000683'
-        ],
-		'Method \'get_matches_from_hmdb_ua\' works with a well-formated string of mzs and return a complete csv from hmdb');
-
-	print "\n** Test $current_test test_matches_from_hmdb_ua to get hmdb status **\n" ; $current_test++;
-	is_deeply (test_matches_from_hmdb_uaTest (),
-		\'200',
-		'The HMDB server is available: returns successful HTTP requests' ) ;
-
-	print "\n** Test $current_test check_state_from_hmdb_ua to manage script execution with the hmdb server status **\n" ; $current_test++;
-	is_deeply (check_state_from_hmdb_uaTest (\'200'),
-		1,
-		'The status 200 returns no error/warn' ) ;
-
-	print "\n** Test $current_test prepare_multi_masses_query with an empty list of mzs **\n" ; $current_test++;
-	throws_ok{ check_state_from_hmdb_uaTest(\'504')}
-		'/Gateway Timeout: The HMDB server was acting as a gateway or proxy and did not receive a timely response from the upstream server/',
-		'Method \'check_state_from_hmdb_ua\' detects HTTP error code returned by HMDB and died correctly' ;
-
-	print "\n** Test $current_test parse_hmdb_csv_results with the correct inputs for hmdb outputs parsing (csv format) **\n" ; $current_test++;
-	is_deeply ( parse_hmdb_csv_resultsTest (
-		[
-          'query_mass,compound_id,formula,compound_mass,adduct,adduct_type,adduct_mass,delta',
-          '175.01,HMDB60293,H2O3S2,113.94453531,M+IsoProp+H,+,175.009875,0.000125',
-          '175.01,HMDB03745,C2H6O3S2,141.975835438,M+CH3OH+H,+,175.009324,0.000676',
-          '175.01,HMDB31436,H4O4Si,95.987885149,M+DMSO+H,+,175.009105,0.000895',
-          '175.01,HMDB33657,C17H10O6,310.047738052,M+H+K,+,175.009086,0.000914',
-          '175.01,HMDB35230,C17H10O6,310.047738052,M+H+K,+,175.009086,0.000914',
-          '420.16,HMDB60838,C17H17N3O4S,359.093976737,M+IsoProp+H,+,420.159317,0.000683',
-          '420.16,HMDB60836,C17H17N3O4S,359.093976737,M+IsoProp+H,+,420.159317,0.000683'
-        ],
-        ['175.01', '238.19', '420.16']
-	),
-		[
-          [
-			{ 'ENTRY_ADDUCT' => 'M+IsoProp+H', 'ENTRY_DELTA' => '0.000125', 'ENTRY_ADDUCT_TYPE' => '+', 'ENTRY_FORMULA' => 'H2O3S2', 'ENTRY_ENTRY_ID' => 'HMDB60293', 'ENTRY_ADDUCT_MZ' => '175.009875', 'ENTRY_CPD_MZ' => '113.94453531' },
-			{ 'ENTRY_ADDUCT' => 'M+CH3OH+H', 'ENTRY_ADDUCT_TYPE' => '+', 'ENTRY_DELTA' => '0.000676', 'ENTRY_FORMULA' => 'C2H6O3S2', 'ENTRY_ENTRY_ID' => 'HMDB03745', 'ENTRY_ADDUCT_MZ' => '175.009324', 'ENTRY_CPD_MZ' => '141.975835438' },
-			{ 'ENTRY_CPD_MZ' => '95.987885149', 'ENTRY_FORMULA' => 'H4O4Si', 'ENTRY_ENTRY_ID' => 'HMDB31436', 'ENTRY_ADDUCT_MZ' => '175.009105', 'ENTRY_DELTA' => '0.000895', 'ENTRY_ADDUCT_TYPE' => '+', 'ENTRY_ADDUCT' => 'M+DMSO+H' },
-			{ 'ENTRY_ADDUCT_TYPE' => '+', 'ENTRY_DELTA' => '0.000914', 'ENTRY_ADDUCT' => 'M+H+K', 'ENTRY_CPD_MZ' => '310.047738052', 'ENTRY_ENTRY_ID' => 'HMDB33657', 'ENTRY_ADDUCT_MZ' => '175.009086', 'ENTRY_FORMULA' => 'C17H10O6' },
-			{ 'ENTRY_ADDUCT' => 'M+H+K', 'ENTRY_DELTA' => '0.000914', 'ENTRY_ADDUCT_TYPE' => '+', 'ENTRY_FORMULA' => 'C17H10O6', 'ENTRY_ADDUCT_MZ' => '175.009086', 'ENTRY_ENTRY_ID' => 'HMDB35230', 'ENTRY_CPD_MZ' => '310.047738052' }
-          ],
-          [],
-          [
-            { 'ENTRY_ADDUCT' => 'M+IsoProp+H', 'ENTRY_ADDUCT_TYPE' => '+', 'ENTRY_DELTA' => '0.000683', 'ENTRY_ENTRY_ID' => 'HMDB60838', 'ENTRY_ADDUCT_MZ' => '420.159317', 'ENTRY_FORMULA' => 'C17H17N3O4S', 'ENTRY_CPD_MZ' => '359.093976737' },
-            { 'ENTRY_CPD_MZ' => '359.093976737', 'ENTRY_FORMULA' => 'C17H17N3O4S', 'ENTRY_ENTRY_ID' => 'HMDB60836', 'ENTRY_ADDUCT_MZ' => '420.159317', 'ENTRY_ADDUCT_TYPE' => '+', 'ENTRY_DELTA' => '0.000683', 'ENTRY_ADDUCT' => 'M+IsoProp+H' }
-          ]
-        ],
-		'Method \'parse_hmdb_csv_results\' works with a well-formated csv output and returns a a well formated array' ) ;
-
-	print "\n** Test $current_test parse_hmdb_csv_results with a void hmdb output and a list of mzs **\n" ; $current_test++;
-	is_deeply ( parse_hmdb_csv_resultsTest ( [], ['175.01', '238.19', '420.16'] ),
-		[ [], [], [] ],
-		'Method \'parse_hmdb_csv_results\' works with a empty csv output and returns an empty but well formatted array' ) ;
-
-	print "\n** Test $current_test parse_hmdb_csv_results with a void hmdb output and a void mz list  **\n" ; $current_test++;
-	is_deeply ( parse_hmdb_csv_resultsTest ( [], [] ),
-		[],
-		'Method \'parse_hmdb_csv_results\' works with a empty csv output/mz list and returns an empty but well formatted array' ) ;
-}
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-## END of the script
\ No newline at end of file
--- a/hmdb/t/lib/hmdbTest.pm	Thu Jan 28 10:52:26 2016 -0500
+++ /dev/null	Thu Jan 01 00:00:00 1970 +0000
@@ -1,83 +0,0 @@
-package lib::hmdbTest ;
-
-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 ;
-
-our $VERSION = "1.0";
-our @ISA = qw(Exporter);
-our @EXPORT = qw( parse_hmdb_csv_resultsTest check_state_from_hmdb_uaTest test_matches_from_hmdb_uaTest extract_sub_mz_listsTest prepare_multi_masses_queryTest get_matches_from_hmdb_uaTest);
-our %EXPORT_TAGS = ( ALL => [qw( parse_hmdb_csv_resultsTest check_state_from_hmdb_uaTest test_matches_from_hmdb_uaTest extract_sub_mz_listsTest prepare_multi_masses_queryTest get_matches_from_hmdb_uaTest)] );
-
-use lib '/Users/fgiacomoni/Inra/labs/perl/galaxy_tools/hmdb' ;
-use lib::hmdb qw( :ALL ) ;
-
-use Data::Dumper ;
-
-## sub
-sub extract_sub_mz_listsTest {
-
-	my ($masses, $hmdb_limits, ) = @_ ;
-
-	my $oHmdb = lib::hmdb->new() ;
-	my $submasses = $oHmdb->extract_sub_mz_lists($masses, $hmdb_limits ) ;
-
-	return ($submasses) ;
-}
-
-## sub
-sub prepare_multi_masses_queryTest {
-
-	my ($mzs ) = @_ ;
-
-	my $oHmdb = lib::hmdb->new() ;
-	my ( $hmdb_masses, $nb_masses_to_submit ) = $oHmdb->prepare_multi_masses_query($mzs) ;
-
-	return ($hmdb_masses) ;
-}
-
-## sub
-sub get_matches_from_hmdb_uaTest {
-
-	my ( $hmdb_masses, $delta, $molecular_species ) = @_ ;
-
-	my $oHmdb = lib::hmdb->new() ;
-	my $hmdb_pages = $oHmdb->get_matches_from_hmdb_ua($hmdb_masses, $delta, $molecular_species) ;
-	return ($hmdb_pages) ;
-}
-
-
-## sub
-sub test_matches_from_hmdb_uaTest {
-
-	my $oHmdb = lib::hmdb->new() ;
-	my $status = $oHmdb->test_matches_from_hmdb_ua() ;
-	return ($status) ;
-}
-
-
-## sub
-sub check_state_from_hmdb_uaTest {
-	my ($status ) = @_ ;
-
-	my $oHmdb = lib::hmdb->new() ;
-	my $res = $oHmdb->check_state_from_hmdb_ua($status) ;
-	return($res) ;
-}
-
-
-
-## sub
-sub parse_hmdb_csv_resultsTest {
-	my ($hmdb_pages, $mzs ) = @_ ;
-
-	my $oHmdb = lib::hmdb->new() ;
-	my $result = $oHmdb->parse_hmdb_csv_results($hmdb_pages, $mzs) ; ## hash format result
-
-	return($result) ;
-}
-
-
-1 ;
\ No newline at end of file
Binary file hmdb/test_data/._.DS_Store has changed
--- a/hmdb/test_data/input_test01_fake-mzrt-input-with-id.tsv	Thu Jan 28 10:52:26 2016 -0500
+++ /dev/null	Thu Jan 01 00:00:00 1970 +0000
@@ -1,7 +0,0 @@
-id	mz	rt
-1	7.02080998	49.38210915
-2	75.05547146	0.658528069
-3	75.08059797	1743.94267
-4	76.03942694	51.23158899
-5	76.07584477	50.51249853
-6	76.07593168	0.149308136
\ No newline at end of file
--- a/hmdb/test_data/input_test02_mzrt-input-with-id.tsv	Thu Jan 28 10:52:26 2016 -0500
+++ /dev/null	Thu Jan 01 00:00:00 1970 +0000
@@ -1,7 +0,0 @@
-id	mz	rt
-1	7.02080998	49.38210915
-2	75.05547146	0.658528069
-3	75.08059797	1743.94267
-4	76.03942694	51.23158899
-5	76.07584477	50.51249853
-6	76.07593168	0.149308136
\ No newline at end of file
--- a/hmdb/test_data/out_test01.csv	Thu Jan 28 10:52:26 2016 -0500
+++ /dev/null	Thu Jan 01 00:00:00 1970 +0000
@@ -1,7 +0,0 @@
-ID	MASS_SUBMIT	HMDB_ID	CPD_FORMULA	CPD_MW	DELTA
-mz_00001	7.02080998	No_result_found_on_HMDB	n/a	n/a	0
-mz_00002	75.05547146	No_result_found_on_HMDB	n/a	n/a	0
-mz_00003	75.08059797	No_result_found_on_HMDB	n/a	n/a	0
-mz_00004	76.03942694	No_result_found_on_HMDB	n/a	n/a	0
-mz_00005	76.07584477	No_result_found_on_HMDB	n/a	n/a	0
-mz_00006	76.07593168	No_result_found_on_HMDB	n/a	n/a	0
--- a/hmdb/test_data/out_test01.html	Thu Jan 28 10:52:26 2016 -0500
+++ /dev/null	Thu Jan 01 00:00:00 1970 +0000
@@ -1,1 +0,0 @@
-<?xml version="1.0" encoding="UTF-8" ?><!DOCTYPE html><html lang="en"><head><meta charset="utf-8"><meta name="viewport" content="width=device-width, initial-scale=1.0"><meta name="description" content=""><meta name="author" content="INRA de Clermont-Ferrand"><title>Galaxy HMDB queries - All results</title><link rel="stylesheet" type="text/css" href="css.php" media="all"><link rel="stylesheet" type="text/css" href="https://cdn.rawgit.com/fgiacomoni/galaxy_utils/master/style/simplePagination.css"/><!-- JavaScript --><script src="https://ajax.googleapis.com/ajax/libs/jquery/1.7.2/jquery.min.js"></script><script src="https://cdn.rawgit.com/fgiacomoni/galaxy_utils/master/scripts/jquery.simplePagination.js"></script><style type="text/css">body {padding-top: 70px}div.lm-table-warning {  font-size: 1.4em;  font-weight: bold;  padding-right: 25px;  color: #21536a;  margin-left: 3px;}tr.green td  {background-color: #eaf2d3; color: black;}tr.blank td {background-color: #9999CC; color: black;}table {font-family:'Trebuchet MS',Arial,Helvetica,sans-serif;width:100%;border-collapse:collapse;}table.detail, table.detail tr.parent, table.detail td, table.detail th, table.detail tr.category {border-collapse:collapse;border:1px solid #98bf21;}table.detail th {font-size: 1.2em;text-align: center;padding-top: 5px;padding-bottom: 10px;background-color: #a7c942;color: #ffffff;}td.ca {text-align:center;}footer {  margin: 50px 0;}</style><script>function test(pageNumber){  var page="#page-id-"+pageNumber;  $('.select').hide() ; $(page).show()}</script></head><body><div class="container"><div class="lm-table-warning">Results of HMDB queries - Search params : Molecular specie = neutral / delta (mass-to-charge ratio) = 0.001</div><div id="detail_table_source" style="display:none"></div><p><div id="choose"></div><p><div id="ms_search_0" class="ms-search-table"></div><!-- HeadRows--><table id="detail_table" class="detail"><col style="width:30px;"><!-- Ids (m/z)--><col style="width:30px;"><!-- Mass (m/z)--><col style="width:30px;"><!-- Compound--><col style="width:120px;"><!-- name--><col style="width:40px;"><!-- adduct--><col style="width:50px;"><!-- adduct type--><col style="width:60px;"><!-- adduct mw--><col style="width:60px;"><!-- cpd mw--><col style="width:50px;"><!-- delta--><thead><th>ID from input</th><th>Mass (m/z)</th><th>Compound_ID</th><th>Formula</th><th>Compound MW (Da)</th><th>Adduct</th><th>Adduct_Type</th><th>Adduct MW (Da)</th><th>Delta</th></thead><tbody class="select" id="page-id-1"><tr class="white"><td class="ca" >mz_00001</td><td id="1" class="ca" >7.02080998</td><td class="ca" colspan="7"></td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/" target="_blank" class="btn">No_result_found_on_HMDB</a></td><td class="ca">n/a</td><td class="ca">n/a</td><td class="ca">n/a</td><td class="ca">n/a</td><td class="ca">n/a</td><td class="ca">0</td></tr><tr class="green"><td class="ca" >mz_00002</td><td id="2" class="ca" >75.05547146</td><td class="ca" colspan="7"></td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/" target="_blank" class="btn">No_result_found_on_HMDB</a></td><td class="ca">n/a</td><td class="ca">n/a</td><td class="ca">n/a</td><td class="ca">n/a</td><td class="ca">n/a</td><td class="ca">0</td></tr><tr class="white"><td class="ca" >mz_00003</td><td id="3" class="ca" >75.08059797</td><td class="ca" colspan="7"></td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/" target="_blank" class="btn">No_result_found_on_HMDB</a></td><td class="ca">n/a</td><td class="ca">n/a</td><td class="ca">n/a</td><td class="ca">n/a</td><td class="ca">n/a</td><td class="ca">0</td></tr><tr class="green"><td class="ca" >mz_00004</td><td id="4" class="ca" >76.03942694</td><td class="ca" colspan="7"></td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/" target="_blank" class="btn">No_result_found_on_HMDB</a></td><td class="ca">n/a</td><td class="ca">n/a</td><td class="ca">n/a</td><td class="ca">n/a</td><td class="ca">n/a</td><td class="ca">0</td></tr></tbody><tbody class="select" id="page-id-2"><tr class="white"><td class="ca" >mz_00005</td><td id="5" class="ca" >76.07584477</td><td class="ca" colspan="7"></td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/" target="_blank" class="btn">No_result_found_on_HMDB</a></td><td class="ca">n/a</td><td class="ca">n/a</td><td class="ca">n/a</td><td class="ca">n/a</td><td class="ca">n/a</td><td class="ca">0</td></tr><tr class="green"><td class="ca" >mz_00006</td><td id="6" class="ca" >76.07593168</td><td class="ca" colspan="7"></td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/" target="_blank" class="btn">No_result_found_on_HMDB</a></td><td class="ca">n/a</td><td class="ca">n/a</td><td class="ca">n/a</td><td class="ca">n/a</td><td class="ca">n/a</td><td class="ca">0</td></tr></tbody></table></div><div class="container"><hr><footer><div class="row">  <div class="col-lg-12"><p>Copyright &copy; INRA, N Paulhe, F Giacomoni 2014 </p>  </div> </div> </footer></div><script language="javascript">$(function() {$('#choose').pagination({items: 2,itemsOnPage: 1,currentPage: 1,onInit: function () { test(1); },cssStyle: 'light-theme',onPageClick: function(pageNumber){test(pageNumber)}}).pagination('redraw');});</script></body></html>
\ No newline at end of file
--- a/hmdb/test_data/out_test01.tsv	Thu Jan 28 10:52:26 2016 -0500
+++ /dev/null	Thu Jan 01 00:00:00 1970 +0000
@@ -1,7 +0,0 @@
-id	mz	rt	hmdb
-1	7.02080998	49.38210915	No_result_found_on_HMDB
-2	75.05547146	0.658528069	No_result_found_on_HMDB
-3	75.08059797	1743.94267	No_result_found_on_HMDB
-4	76.03942694	51.23158899	No_result_found_on_HMDB
-5	76.07584477	50.51249853	No_result_found_on_HMDB
-6	76.07593168	0.149308136	No_result_found_on_HMDB
--- a/hmdb/test_data/out_test02.csv	Thu Jan 28 10:52:26 2016 -0500
+++ /dev/null	Thu Jan 01 00:00:00 1970 +0000
@@ -1,75 +0,0 @@
-ID	MASS_SUBMIT	HMDB_ID	CPD_FORMULA	CPD_MW	DELTA
-mz_00001	7.02080998	No_result_found_on_HMDB	n/a	n/a	0
-mz_00002	75.05547146	HMDB31419	C2H6N2O	74.048012824	0.00018246
-mz_00002	75.05547146	HMDB60428	C2H6N2O	74.048012824	0.00018246
-mz_00002	75.05547146	HMDB00064	C4H9N3O2	131.069476547	0.00018346
-mz_00002	75.05547146	HMDB13222	C4H9N3O2	131.069476547	0.00018346
-mz_00002	75.05547146	HMDB32439	H3NO	33.021463723	0.00018446
-mz_00002	75.05547146	HMDB03338	H3NO	33.021463723	0.00018446
-mz_00002	75.05547146	HMDB13162	C11H22NO2	200.165053953	0.00080354
-mz_00003	75.08059797	HMDB04327	C4H10O	74.073164942	0.00015697
-mz_00003	75.08059797	HMDB62103	C4H10O	74.073164942	0.00015697
-mz_00003	75.08059797	HMDB11469	C4H10O	74.073164942	0.00015697
-mz_00003	75.08059797	HMDB06006	C4H10O	74.073164942	0.00015697
-mz_00003	75.08059797	HMDB31456	C4H10O	74.073164942	0.00015697
-mz_00004	76.03942694	HMDB00191	C4H7NO4	133.037507717	0.00012294
-mz_00004	76.03942694	HMDB31239	C2H5NO2	75.032028409	0.00012294
-mz_00004	76.03942694	HMDB00123	C2H5NO2	75.032028409	0.00012294
-mz_00004	76.03942694	HMDB14691	C2H5NO2	75.032028409	0.00012294
-mz_00004	76.03942694	HMDB11753	C4H7NO4	133.037507717	0.00012294
-mz_00004	76.03942694	HMDB06483	C4H7NO4	133.037507717	0.00012294
-mz_00004	76.03942694	HMDB03125	H2O2	34.005479308	0.00012494
-mz_00004	76.03942694	HMDB01039	HO	17.002739654	0.00012494
-mz_00004	76.03942694	HMDB00201	C9H17NO4	203.115758037	0.00041606
-mz_00004	76.03942694	HMDB31603	C7H12O2	128.083729628	0.00068506
-mz_00004	76.03942694	HMDB40214	C7H12O2	128.083729628	0.00068506
-mz_00004	76.03942694	HMDB31681	C7H12O2	128.083729628	0.00068506
-mz_00004	76.03942694	HMDB31174	C7H12O2	128.083729628	0.00068506
-mz_00004	76.03942694	HMDB38271	C7H12O2	128.083729628	0.00068506
-mz_00004	76.03942694	HMDB31342	C7H12O2	128.083729628	0.00068506
-mz_00004	76.03942694	HMDB31504	C7H12O2	128.083729628	0.00068506
-mz_00004	76.03942694	HMDB33793	C7H12O2	128.083729628	0.00068506
-mz_00004	76.03942694	HMDB31593	C7H12O2	128.083729628	0.00068506
-mz_00004	76.03942694	HMDB39819	C7H12O2	128.083729628	0.00068506
-mz_00004	76.03942694	HMDB30330	C7H12O2	128.083729628	0.00068506
-mz_00004	76.03942694	HMDB29165	C7H12O2	128.083729628	0.00068506
-mz_00004	76.03942694	HMDB31351	C7H12O2	128.083729628	0.00068506
-mz_00004	76.03942694	HMDB40591	C7H12O2	128.083729628	0.00068506
-mz_00004	76.03942694	HMDB32460	C7H12O2	128.083729628	0.00068506
-mz_00004	76.03942694	HMDB38962	C7H12O2	128.083729628	0.00068506
-mz_00004	76.03942694	HMDB32391	C7H12O2	128.083729628	0.00068506
-mz_00004	76.03942694	HMDB31476	C7H12O2	128.083729628	0.00068506
-mz_00004	76.03942694	HMDB31477	C7H12O2	128.083729628	0.00068506
-mz_00004	76.03942694	HMDB29314	C7H12O2	128.083729628	0.00068506
-mz_00004	76.03942694	HMDB31500	C7H12O2	128.083729628	0.00068506
-mz_00004	76.03942694	HMDB31484	C7H12O2	128.083729628	0.00068506
-mz_00005	76.07584477	HMDB12136	C3H9NO	75.068413915	0.00015477
-mz_00005	76.07584477	HMDB00925	C3H9NO	75.068413915	0.00015477
-mz_00005	76.07584477	HMDB31652	C3H6O	58.041864814	0.00015677
-mz_00005	76.07584477	HMDB62143	C3H6O	58.041864813	0.00015677
-mz_00005	76.07584477	HMDB31558	C3H6O	58.041864814	0.00015677
-mz_00005	76.07584477	HMDB03366	C3H6O	58.041864814	0.00015677
-mz_00005	76.07584477	HMDB01659	C3H6O	58.041864814	0.00015677
-mz_00005	76.07584477	HMDB62061	C9H20	128.156500644	0.00065223
-mz_00005	76.07584477	HMDB31416	C9H20	128.15650064	0.00065223
-mz_00005	76.07584477	HMDB31556	C9H20	128.15650064	0.00065223
-mz_00005	76.07584477	HMDB30301	C9H20	128.15650064	0.00065223
-mz_00005	76.07584477	HMDB29595	C9H20	128.15650064	0.00065223
-mz_00005	76.07584477	HMDB30302	C9H20	128.15650064	0.00065223
-mz_00005	76.07584477	HMDB62013	C9H20	128.156500644	0.00065223
-mz_00005	76.07584477	HMDB62017	C9H20	128.156500644	0.00065223
-mz_00006	76.07593168	HMDB12136	C3H9NO	75.068413915	0.00024168
-mz_00006	76.07593168	HMDB00925	C3H9NO	75.068413915	0.00024168
-mz_00006	76.07593168	HMDB31652	C3H6O	58.041864814	0.00024368
-mz_00006	76.07593168	HMDB62143	C3H6O	58.041864813	0.00024368
-mz_00006	76.07593168	HMDB31558	C3H6O	58.041864814	0.00024368
-mz_00006	76.07593168	HMDB03366	C3H6O	58.041864814	0.00024368
-mz_00006	76.07593168	HMDB01659	C3H6O	58.041864814	0.00024368
-mz_00006	76.07593168	HMDB62061	C9H20	128.156500644	0.00056532
-mz_00006	76.07593168	HMDB31416	C9H20	128.15650064	0.00056532
-mz_00006	76.07593168	HMDB31556	C9H20	128.15650064	0.00056532
-mz_00006	76.07593168	HMDB30301	C9H20	128.15650064	0.00056532
-mz_00006	76.07593168	HMDB29595	C9H20	128.15650064	0.00056532
-mz_00006	76.07593168	HMDB30302	C9H20	128.15650064	0.00056532
-mz_00006	76.07593168	HMDB62013	C9H20	128.156500644	0.00056532
-mz_00006	76.07593168	HMDB62017	C9H20	128.156500644	0.00056532
--- a/hmdb/test_data/out_test02.html	Thu Jan 28 10:52:26 2016 -0500
+++ /dev/null	Thu Jan 01 00:00:00 1970 +0000
@@ -1,1 +0,0 @@
-<?xml version="1.0" encoding="UTF-8" ?><!DOCTYPE html><html lang="en"><head><meta charset="utf-8"><meta name="viewport" content="width=device-width, initial-scale=1.0"><meta name="description" content=""><meta name="author" content="INRA de Clermont-Ferrand"><title>Galaxy HMDB queries - All results</title><link rel="stylesheet" type="text/css" href="css.php" media="all"><link rel="stylesheet" type="text/css" href="https://cdn.rawgit.com/fgiacomoni/galaxy_utils/master/style/simplePagination.css"/><!-- JavaScript --><script src="https://ajax.googleapis.com/ajax/libs/jquery/1.7.2/jquery.min.js"></script><script src="https://cdn.rawgit.com/fgiacomoni/galaxy_utils/master/scripts/jquery.simplePagination.js"></script><style type="text/css">body {padding-top: 70px}div.lm-table-warning {  font-size: 1.4em;  font-weight: bold;  padding-right: 25px;  color: #21536a;  margin-left: 3px;}tr.green td  {background-color: #eaf2d3; color: black;}tr.blank td {background-color: #9999CC; color: black;}table {font-family:'Trebuchet MS',Arial,Helvetica,sans-serif;width:100%;border-collapse:collapse;}table.detail, table.detail tr.parent, table.detail td, table.detail th, table.detail tr.category {border-collapse:collapse;border:1px solid #98bf21;}table.detail th {font-size: 1.2em;text-align: center;padding-top: 5px;padding-bottom: 10px;background-color: #a7c942;color: #ffffff;}td.ca {text-align:center;}footer {  margin: 50px 0;}</style><script>function test(pageNumber){  var page="#page-id-"+pageNumber;  $('.select').hide() ; $(page).show()}</script></head><body><div class="container"><div class="lm-table-warning">Results of HMDB queries - Search params : Molecular specie = positive / delta (mass-to-charge ratio) = 0.001</div><div id="detail_table_source" style="display:none"></div><p><div id="choose"></div><p><div id="ms_search_0" class="ms-search-table"></div><!-- HeadRows--><table id="detail_table" class="detail"><col style="width:30px;"><!-- Ids (m/z)--><col style="width:30px;"><!-- Mass (m/z)--><col style="width:30px;"><!-- Compound--><col style="width:120px;"><!-- name--><col style="width:40px;"><!-- adduct--><col style="width:50px;"><!-- adduct type--><col style="width:60px;"><!-- adduct mw--><col style="width:60px;"><!-- cpd mw--><col style="width:50px;"><!-- delta--><thead><th>ID from input</th><th>Mass (m/z)</th><th>Compound_ID</th><th>Formula</th><th>Compound MW (Da)</th><th>Adduct</th><th>Adduct_Type</th><th>Adduct MW (Da)</th><th>Delta</th></thead><tbody class="select" id="page-id-1"><tr class="white"><td class="ca" >mz_00001</td><td id="1" class="ca" >7.02080998</td><td class="ca" colspan="7"></td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/" target="_blank" class="btn">No_result_found_on_HMDB</a></td><td class="ca">n/a</td><td class="ca">n/a</td><td class="ca">n/a</td><td class="ca">n/a</td><td class="ca">n/a</td><td class="ca">0</td></tr><tr class="green"><td class="ca" >mz_00002</td><td id="2" class="ca" >75.05547146</td><td class="ca" colspan="7"></td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31419" target="_blank" class="btn">HMDB31419</a></td><td class="ca">C2H6N2O</td><td class="ca">74.048012824</td><td class="ca">M+H</td><td class="ca">+</td><td class="ca">75.055289</td><td class="ca">0.00018246</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB60428" target="_blank" class="btn">HMDB60428</a></td><td class="ca">C2H6N2O</td><td class="ca">74.048012824</td><td class="ca">M+H</td><td class="ca">+</td><td class="ca">75.055289</td><td class="ca">0.00018246</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00064" target="_blank" class="btn">HMDB00064</a></td><td class="ca">C4H9N3O2</td><td class="ca">131.069476547</td><td class="ca">M+H+NH4</td><td class="ca">+</td><td class="ca">75.055288</td><td class="ca">0.00018346</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB13222" target="_blank" class="btn">HMDB13222</a></td><td class="ca">C4H9N3O2</td><td class="ca">131.069476547</td><td class="ca">M+H+NH4</td><td class="ca">+</td><td class="ca">75.055288</td><td class="ca">0.00018346</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB32439" target="_blank" class="btn">HMDB32439</a></td><td class="ca">H3NO</td><td class="ca">33.021463723</td><td class="ca">M+ACN+H</td><td class="ca">+</td><td class="ca">75.055287</td><td class="ca">0.00018446</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB03338" target="_blank" class="btn">HMDB03338</a></td><td class="ca">H3NO</td><td class="ca">33.021463723</td><td class="ca">M+ACN+H</td><td class="ca">+</td><td class="ca">75.055287</td><td class="ca">0.00018446</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB13162" target="_blank" class="btn">HMDB13162</a></td><td class="ca">C11H22NO2</td><td class="ca">200.165053953</td><td class="ca">M+2H+Na</td><td class="ca">+</td><td class="ca">75.056275</td><td class="ca">0.00080354</td></tr><tr class="white"><td class="ca" >mz_00003</td><td id="3" class="ca" >75.08059797</td><td class="ca" colspan="7"></td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB04327" target="_blank" class="btn">HMDB04327</a></td><td class="ca">C4H10O</td><td class="ca">74.073164942</td><td class="ca">M+H</td><td class="ca">+</td><td class="ca">75.080441</td><td class="ca">0.00015697</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB62103" target="_blank" class="btn">HMDB62103</a></td><td class="ca">C4H10O</td><td class="ca">74.073164942</td><td class="ca">M+H</td><td class="ca">+</td><td class="ca">75.080441</td><td class="ca">0.00015697</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB11469" target="_blank" class="btn">HMDB11469</a></td><td class="ca">C4H10O</td><td class="ca">74.073164942</td><td class="ca">M+H</td><td class="ca">+</td><td class="ca">75.080441</td><td class="ca">0.00015697</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB06006" target="_blank" class="btn">HMDB06006</a></td><td class="ca">C4H10O</td><td class="ca">74.073164942</td><td class="ca">M+H</td><td class="ca">+</td><td class="ca">75.080441</td><td class="ca">0.00015697</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31456" target="_blank" class="btn">HMDB31456</a></td><td class="ca">C4H10O</td><td class="ca">74.073164942</td><td class="ca">M+H</td><td class="ca">+</td><td class="ca">75.080441</td><td class="ca">0.00015697</td></tr><tr class="green"><td class="ca" >mz_00004</td><td id="4" class="ca" >76.03942694</td><td class="ca" colspan="7"></td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00191" target="_blank" class="btn">HMDB00191</a></td><td class="ca">C4H7NO4</td><td class="ca">133.037507717</td><td class="ca">M+H+NH4</td><td class="ca">+</td><td class="ca">76.039304</td><td class="ca">0.00012294</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31239" target="_blank" class="btn">HMDB31239</a></td><td class="ca">C2H5NO2</td><td class="ca">75.032028409</td><td class="ca">M+H</td><td class="ca">+</td><td class="ca">76.039304</td><td class="ca">0.00012294</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00123" target="_blank" class="btn">HMDB00123</a></td><td class="ca">C2H5NO2</td><td class="ca">75.032028409</td><td class="ca">M+H</td><td class="ca">+</td><td class="ca">76.039304</td><td class="ca">0.00012294</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB14691" target="_blank" class="btn">HMDB14691</a></td><td class="ca">C2H5NO2</td><td class="ca">75.032028409</td><td class="ca">M+H</td><td class="ca">+</td><td class="ca">76.039304</td><td class="ca">0.00012294</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB11753" target="_blank" class="btn">HMDB11753</a></td><td class="ca">C4H7NO4</td><td class="ca">133.037507717</td><td class="ca">M+H+NH4</td><td class="ca">+</td><td class="ca">76.039304</td><td class="ca">0.00012294</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB06483" target="_blank" class="btn">HMDB06483</a></td><td class="ca">C4H7NO4</td><td class="ca">133.037507717</td><td class="ca">M+H+NH4</td><td class="ca">+</td><td class="ca">76.039304</td><td class="ca">0.00012294</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB03125" target="_blank" class="btn">HMDB03125</a></td><td class="ca">H2O2</td><td class="ca">34.005479308</td><td class="ca">M+ACN+H</td><td class="ca">+</td><td class="ca">76.039302</td><td class="ca">0.00012494</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB01039" target="_blank" class="btn">HMDB01039</a></td><td class="ca">HO</td><td class="ca">17.002739654</td><td class="ca">2M+ACN+H</td><td class="ca">+</td><td class="ca">76.039302</td><td class="ca">0.00012494</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00201" target="_blank" class="btn">HMDB00201</a></td><td class="ca">C9H17NO4</td><td class="ca">203.115758037</td><td class="ca">M+2H+Na</td><td class="ca">+</td><td class="ca">76.039843</td><td class="ca">0.00041606</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31603" target="_blank" class="btn">HMDB31603</a></td><td class="ca">C7H12O2</td><td class="ca">128.083729628</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">76.040112</td><td class="ca">0.00068506</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB40214" target="_blank" class="btn">HMDB40214</a></td><td class="ca">C7H12O2</td><td class="ca">128.083729628</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">76.040112</td><td class="ca">0.00068506</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31681" target="_blank" class="btn">HMDB31681</a></td><td class="ca">C7H12O2</td><td class="ca">128.083729628</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">76.040112</td><td class="ca">0.00068506</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31174" target="_blank" class="btn">HMDB31174</a></td><td class="ca">C7H12O2</td><td class="ca">128.083729628</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">76.040112</td><td class="ca">0.00068506</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB38271" target="_blank" class="btn">HMDB38271</a></td><td class="ca">C7H12O2</td><td class="ca">128.083729628</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">76.040112</td><td class="ca">0.00068506</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31342" target="_blank" class="btn">HMDB31342</a></td><td class="ca">C7H12O2</td><td class="ca">128.083729628</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">76.040112</td><td class="ca">0.00068506</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31504" target="_blank" class="btn">HMDB31504</a></td><td class="ca">C7H12O2</td><td class="ca">128.083729628</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">76.040112</td><td class="ca">0.00068506</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33793" target="_blank" class="btn">HMDB33793</a></td><td class="ca">C7H12O2</td><td class="ca">128.083729628</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">76.040112</td><td class="ca">0.00068506</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31593" target="_blank" class="btn">HMDB31593</a></td><td class="ca">C7H12O2</td><td class="ca">128.083729628</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">76.040112</td><td class="ca">0.00068506</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB39819" target="_blank" class="btn">HMDB39819</a></td><td class="ca">C7H12O2</td><td class="ca">128.083729628</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">76.040112</td><td class="ca">0.00068506</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB30330" target="_blank" class="btn">HMDB30330</a></td><td class="ca">C7H12O2</td><td class="ca">128.083729628</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">76.040112</td><td class="ca">0.00068506</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29165" target="_blank" class="btn">HMDB29165</a></td><td class="ca">C7H12O2</td><td class="ca">128.083729628</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">76.040112</td><td class="ca">0.00068506</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31351" target="_blank" class="btn">HMDB31351</a></td><td class="ca">C7H12O2</td><td class="ca">128.083729628</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">76.040112</td><td class="ca">0.00068506</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB40591" target="_blank" class="btn">HMDB40591</a></td><td class="ca">C7H12O2</td><td class="ca">128.083729628</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">76.040112</td><td class="ca">0.00068506</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB32460" target="_blank" class="btn">HMDB32460</a></td><td class="ca">C7H12O2</td><td class="ca">128.083729628</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">76.040112</td><td class="ca">0.00068506</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB38962" target="_blank" class="btn">HMDB38962</a></td><td class="ca">C7H12O2</td><td class="ca">128.083729628</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">76.040112</td><td class="ca">0.00068506</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB32391" target="_blank" class="btn">HMDB32391</a></td><td class="ca">C7H12O2</td><td class="ca">128.083729628</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">76.040112</td><td class="ca">0.00068506</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31476" target="_blank" class="btn">HMDB31476</a></td><td class="ca">C7H12O2</td><td class="ca">128.083729628</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">76.040112</td><td class="ca">0.00068506</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31477" target="_blank" class="btn">HMDB31477</a></td><td class="ca">C7H12O2</td><td class="ca">128.083729628</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">76.040112</td><td class="ca">0.00068506</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29314" target="_blank" class="btn">HMDB29314</a></td><td class="ca">C7H12O2</td><td class="ca">128.083729628</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">76.040112</td><td class="ca">0.00068506</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31500" target="_blank" class="btn">HMDB31500</a></td><td class="ca">C7H12O2</td><td class="ca">128.083729628</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">76.040112</td><td class="ca">0.00068506</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31484" target="_blank" class="btn">HMDB31484</a></td><td class="ca">C7H12O2</td><td class="ca">128.083729628</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">76.040112</td><td class="ca">0.00068506</td></tr></tbody><tbody class="select" id="page-id-2"><tr class="white"><td class="ca" >mz_00005</td><td id="5" class="ca" >76.07584477</td><td class="ca" colspan="7"></td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB12136" target="_blank" class="btn">HMDB12136</a></td><td class="ca">C3H9NO</td><td class="ca">75.068413915</td><td class="ca">M+H</td><td class="ca">+</td><td class="ca">76.07569</td><td class="ca">0.00015477</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00925" target="_blank" class="btn">HMDB00925</a></td><td class="ca">C3H9NO</td><td class="ca">75.068413915</td><td class="ca">M+H</td><td class="ca">+</td><td class="ca">76.07569</td><td class="ca">0.00015477</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31652" target="_blank" class="btn">HMDB31652</a></td><td class="ca">C3H6O</td><td class="ca">58.041864814</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">76.075688</td><td class="ca">0.00015677</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB62143" target="_blank" class="btn">HMDB62143</a></td><td class="ca">C3H6O</td><td class="ca">58.041864813</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">76.075688</td><td class="ca">0.00015677</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31558" target="_blank" class="btn">HMDB31558</a></td><td class="ca">C3H6O</td><td class="ca">58.041864814</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">76.075688</td><td class="ca">0.00015677</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB03366" target="_blank" class="btn">HMDB03366</a></td><td class="ca">C3H6O</td><td class="ca">58.041864814</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">76.075688</td><td class="ca">0.00015677</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB01659" target="_blank" class="btn">HMDB01659</a></td><td class="ca">C3H6O</td><td class="ca">58.041864814</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">76.075688</td><td class="ca">0.00015677</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB62061" target="_blank" class="btn">HMDB62061</a></td><td class="ca">C9H20</td><td class="ca">128.156500644</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">76.076497</td><td class="ca">0.00065223</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31416" target="_blank" class="btn">HMDB31416</a></td><td class="ca">C9H20</td><td class="ca">128.15650064</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">76.076497</td><td class="ca">0.00065223</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31556" target="_blank" class="btn">HMDB31556</a></td><td class="ca">C9H20</td><td class="ca">128.15650064</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">76.076497</td><td class="ca">0.00065223</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB30301" target="_blank" class="btn">HMDB30301</a></td><td class="ca">C9H20</td><td class="ca">128.15650064</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">76.076497</td><td class="ca">0.00065223</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29595" target="_blank" class="btn">HMDB29595</a></td><td class="ca">C9H20</td><td class="ca">128.15650064</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">76.076497</td><td class="ca">0.00065223</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB30302" target="_blank" class="btn">HMDB30302</a></td><td class="ca">C9H20</td><td class="ca">128.15650064</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">76.076497</td><td class="ca">0.00065223</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB62013" target="_blank" class="btn">HMDB62013</a></td><td class="ca">C9H20</td><td class="ca">128.156500644</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">76.076497</td><td class="ca">0.00065223</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB62017" target="_blank" class="btn">HMDB62017</a></td><td class="ca">C9H20</td><td class="ca">128.156500644</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">76.076497</td><td class="ca">0.00065223</td></tr><tr class="green"><td class="ca" >mz_00006</td><td id="6" class="ca" >76.07593168</td><td class="ca" colspan="7"></td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB12136" target="_blank" class="btn">HMDB12136</a></td><td class="ca">C3H9NO</td><td class="ca">75.068413915</td><td class="ca">M+H</td><td class="ca">+</td><td class="ca">76.07569</td><td class="ca">0.00024168</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00925" target="_blank" class="btn">HMDB00925</a></td><td class="ca">C3H9NO</td><td class="ca">75.068413915</td><td class="ca">M+H</td><td class="ca">+</td><td class="ca">76.07569</td><td class="ca">0.00024168</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31652" target="_blank" class="btn">HMDB31652</a></td><td class="ca">C3H6O</td><td class="ca">58.041864814</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">76.075688</td><td class="ca">0.00024368</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB62143" target="_blank" class="btn">HMDB62143</a></td><td class="ca">C3H6O</td><td class="ca">58.041864813</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">76.075688</td><td class="ca">0.00024368</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31558" target="_blank" class="btn">HMDB31558</a></td><td class="ca">C3H6O</td><td class="ca">58.041864814</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">76.075688</td><td class="ca">0.00024368</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB03366" target="_blank" class="btn">HMDB03366</a></td><td class="ca">C3H6O</td><td class="ca">58.041864814</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">76.075688</td><td class="ca">0.00024368</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB01659" target="_blank" class="btn">HMDB01659</a></td><td class="ca">C3H6O</td><td class="ca">58.041864814</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">76.075688</td><td class="ca">0.00024368</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB62061" target="_blank" class="btn">HMDB62061</a></td><td class="ca">C9H20</td><td class="ca">128.156500644</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">76.076497</td><td class="ca">0.00056532</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31416" target="_blank" class="btn">HMDB31416</a></td><td class="ca">C9H20</td><td class="ca">128.15650064</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">76.076497</td><td class="ca">0.00056532</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31556" target="_blank" class="btn">HMDB31556</a></td><td class="ca">C9H20</td><td class="ca">128.15650064</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">76.076497</td><td class="ca">0.00056532</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB30301" target="_blank" class="btn">HMDB30301</a></td><td class="ca">C9H20</td><td class="ca">128.15650064</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">76.076497</td><td class="ca">0.00056532</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29595" target="_blank" class="btn">HMDB29595</a></td><td class="ca">C9H20</td><td class="ca">128.15650064</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">76.076497</td><td class="ca">0.00056532</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB30302" target="_blank" class="btn">HMDB30302</a></td><td class="ca">C9H20</td><td class="ca">128.15650064</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">76.076497</td><td class="ca">0.00056532</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB62013" target="_blank" class="btn">HMDB62013</a></td><td class="ca">C9H20</td><td class="ca">128.156500644</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">76.076497</td><td class="ca">0.00056532</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB62017" target="_blank" class="btn">HMDB62017</a></td><td class="ca">C9H20</td><td class="ca">128.156500644</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">76.076497</td><td class="ca">0.00056532</td></tr></tbody></table></div><div class="container"><hr><footer><div class="row">  <div class="col-lg-12"><p>Copyright &copy; INRA, N Paulhe, F Giacomoni 2014 </p>  </div> </div> </footer></div><script language="javascript">$(function() {$('#choose').pagination({items: 2,itemsOnPage: 1,currentPage: 1,onInit: function () { test(1); },cssStyle: 'light-theme',onPageClick: function(pageNumber){test(pageNumber)}}).pagination('redraw');});</script></body></html>
\ No newline at end of file
--- a/hmdb/test_data/out_test02.tsv	Thu Jan 28 10:52:26 2016 -0500
+++ /dev/null	Thu Jan 01 00:00:00 1970 +0000
@@ -1,7 +0,0 @@
-id	mz	rt	hmdb
-1	7.02080998	49.38210915	No_result_found_on_HMDB
-2	75.05547146	0.658528069	HMDB31419|HMDB60428|HMDB00064|HMDB13222|HMDB32439|HMDB03338|HMDB13162
-3	75.08059797	1743.94267	HMDB04327|HMDB62103|HMDB11469|HMDB06006|HMDB31456
-4	76.03942694	51.23158899	HMDB00191|HMDB31239|HMDB00123|HMDB14691|HMDB11753|HMDB06483|HMDB03125|HMDB01039|HMDB00201|HMDB31603|HMDB40214|HMDB31681|HMDB31174|HMDB38271|HMDB31342|HMDB31504|HMDB33793|HMDB31593|HMDB39819|HMDB30330|HMDB29165|HMDB31351|HMDB40591|HMDB32460|HMDB38962|HMDB32391|HMDB31476|HMDB31477|HMDB29314|HMDB31500|HMDB31484
-5	76.07584477	50.51249853	HMDB12136|HMDB00925|HMDB31652|HMDB62143|HMDB31558|HMDB03366|HMDB01659|HMDB62061|HMDB31416|HMDB31556|HMDB30301|HMDB29595|HMDB30302|HMDB62013|HMDB62017
-6	76.07593168	0.149308136	HMDB12136|HMDB00925|HMDB31652|HMDB62143|HMDB31558|HMDB03366|HMDB01659|HMDB62061|HMDB31416|HMDB31556|HMDB30301|HMDB29595|HMDB30302|HMDB62013|HMDB62017
--- a/hmdb/test_data/out_test03.csv	Thu Jan 28 10:52:26 2016 -0500
+++ /dev/null	Thu Jan 01 00:00:00 1970 +0000
@@ -1,1116 +0,0 @@
-ID	MASS_SUBMIT	HMDB_ID	CPD_FORMULA	CPD_MW	DELTA
-mz_00001	175.01	HMDB60293	H2O3S2	113.94453531	0.000125
-mz_00001	175.01	HMDB03745	C2H6O3S2	141.975835438	0.000676
-mz_00001	175.01	HMDB31436	H4O4Si	95.987885149	0.000895
-mz_00001	175.01	HMDB33657	C17H10O6	310.047738052	0.000914
-mz_00001	175.01	HMDB35230	C17H10O6	310.047738052	0.000914
-mz_00001	175.01	HMDB34155	CH4N2S	76.009518828	0.001744
-mz_00001	175.01	HMDB01570	C10H13N2O7P	304.046037292	0.002237
-mz_00001	175.01	HMDB01270	C3H8O10P2	265.9592695	0.003458
-mz_00001	175.01	HMDB01294	C3H8O10P2	265.9592695	0.003458
-mz_00001	175.01	HMDB60394	C9H12FN2O8P	326.031530087	0.004012
-mz_00001	175.01	HMDB60015	C6H6O4S	173.99867937	0.004045
-mz_00001	175.01	HMDB00021	C9H10INO3	306.970536611	0.004182
-mz_00001	175.01	HMDB15167	C5H4N4S	152.015666838	0.005115
-mz_00001	175.01	HMDB40364	C3H7MnO6P	224.936074104	0.005134
-mz_00001	175.01	HMDB62056	C6H7O4P	174.008195703	0.005472
-mz_00001	175.01	HMDB41485	C8H8O2	136.0524295	0.005588
-mz_00001	175.01	HMDB00209	C8H8O2	136.0524295	0.005588
-mz_00001	175.01	HMDB06853	C4H4O	68.02621475	0.005588
-mz_00001	175.01	HMDB03767	C8H8O2	136.0524295	0.005588
-mz_00001	175.01	HMDB40733	C8H8O2	136.0524295	0.005588
-mz_00001	175.01	HMDB38176	C8H8O2	136.0524295	0.005588
-mz_00001	175.01	HMDB33968	C8H8O2	136.0524295	0.005588
-mz_00001	175.01	HMDB29635	C8H8O2	136.0524295	0.005588
-mz_00001	175.01	HMDB33128	C8H8O2	136.0524295	0.005588
-mz_00001	175.01	HMDB33766	C8H8O2	136.0524295	0.005588
-mz_00001	175.01	HMDB40638	C8H8O2	136.0524295	0.005588
-mz_00001	175.01	HMDB32568	C8H8O2	136.0524295	0.005588
-mz_00001	175.01	HMDB29686	C8H8O2	136.0524295	0.005588
-mz_00001	175.01	HMDB32603	C8H8O2	136.0524295	0.005588
-mz_00001	175.01	HMDB32400	C8H8O2	136.0524295	0.005588
-mz_00001	175.01	HMDB31459	C8H8O2	136.0524295	0.005588
-mz_00001	175.01	HMDB13785	C4H4O	68.02621475	0.005588
-mz_00001	175.01	HMDB02340	C8H8O2	136.0524295	0.005588
-mz_00001	175.01	HMDB14912	C8H8F3N3O4S2	330.990831754	0.005966
-mz_00001	175.01	HMDB60764	C16H11ClN4O	310.062138701	0.006286
-mz_00001	175.01	HMDB40238	C6H10OS	130.045235632	0.006396
-mz_00001	175.01	HMDB31370	C6H10OS	130.045235632	0.006396
-mz_00001	175.01	HMDB37493	C6H10OS	130.045235632	0.006396
-mz_00001	175.01	HMDB37787	C5H10N2	98.08439833	0.006562
-mz_00001	175.01	HMDB61807	C10H9Cl3O2	265.966812653	0.007229
-mz_00001	175.01	HMDB59985	C11H12O8S	304.02528805	0.008138
-mz_00001	175.01	HMDB59987	C11H12O8S	304.02528805	0.008138
-mz_00001	175.01	HMDB60020	C11H12O8S	304.02528805	0.008138
-mz_00001	175.01	HMDB14581	C5H4N4O	136.03851077	0.008331
-mz_00001	175.01	HMDB00157	C5H4N4O	136.03851077	0.008331
-mz_00001	175.01	HMDB40631	C15H12O7	304.058302738	0.008369
-mz_00001	175.01	HMDB31778	C14H9ClF2N2O2	310.032061659	0.008752
-mz_00001	175.01	HMDB31160	C5H12S2	136.038041764	0.0088
-mz_00001	175.01	HMDB33053	C5H12S2	136.038041764	0.0088
-mz_00001	175.01	HMDB33054	C5H12S2	136.038041764	0.0088
-mz_00001	175.01	HMDB29694	C8H8OS	152.029585568	0.008804
-mz_00001	175.01	HMDB29783	C14H14O8	310.068867424	0.009651
-mz_00001	175.01	HMDB00613	C4H8O5	136.037173366	0.009669
-mz_00001	175.01	HMDB00943	C4H8O5	136.037173366	0.009669
-mz_00001	175.01	HMDB00115	C2H4O3	76.016043994	0.011306
-mz_00001	175.01	HMDB31608	C2H4O3	76.016043994	0.011306
-mz_00001	175.01	HMDB41797	C8H6Cl2O3	219.969399472	0.011761
-mz_00001	175.01	HMDB15413	C12H14N4O4S	310.073575646	0.012005
-mz_00001	175.01	HMDB15621	C12H14N4O4S	310.073575646	0.012005
-mz_00001	175.01	HMDB31825	C8H8S	136.034670946	0.012171
-mz_00001	175.01	HMDB31781	C14H15O2PS2	310.025107616	0.012229
-mz_00001	175.01	HMDB00634	C5H6O4	130.02660868	0.012231
-mz_00001	175.01	HMDB00620	C5H6O4	130.02660868	0.012231
-mz_00001	175.01	HMDB61185	C5H6O4	130.02660868	0.012231
-mz_00001	175.01	HMDB00749	C5H6O4	130.02660868	0.012231
-mz_00001	175.01	HMDB02092	C5H6O4	130.02660868	0.012231
-mz_00001	175.01	HMDB33809	C5H6O4	130.02660868	0.012231
-mz_00001	175.01	HMDB13233	C5H6O4	130.02660868	0.012231
-mz_00001	175.01	HMDB59743	C5H6O4	130.02660868	0.012231
-mz_00001	175.01	HMDB60365	C5H6O4	130.02660868	0.012231
-mz_00001	175.01	HMDB60689	C4H11Cl2N2O2P	219.993519532	0.01236
-mz_00001	175.01	HMDB60691	C4H11Cl2N2O2P	219.993519532	0.01236
-mz_00001	175.01	HMDB00292	C5H4N4O2	152.033425392	0.012643
-mz_00001	175.01	HMDB00786	C5H4N4O2	152.033425392	0.012643
-mz_00001	175.01	HMDB01182	C5H4N4O2	152.033425392	0.012643
-mz_00001	175.01	HMDB00072	C6H6O6	174.016437924	0.013714
-mz_00001	175.01	HMDB00958	C6H6O6	174.016437924	0.013714
-mz_00001	175.01	HMDB01264	C6H6O6	174.016437924	0.013714
-mz_00001	175.01	HMDB61101	C11H10BrN5O	307.006872614	0.013986
-mz_00001	175.01	HMDB01520	C17H21N4O9P	456.104614802	0.01409
-mz_00001	175.01	HMDB37945	C23H20O10	456.10564686	0.014434
-mz_00001	175.01	HMDB39328	C23H20O10	456.10564686	0.014434
-mz_00001	175.01	HMDB40200	C7H10OS2	174.017306322	0.014582
-mz_00001	175.01	HMDB29614	C13H21O2PS2	304.072057808	0.015247
-mz_00001	175.01	HMDB32909	C19H12O4	304.073558872	0.015997
-mz_00001	175.01	HMDB38322	C19H12O4	304.073558872	0.015997
-mz_00001	175.01	HMDB41450	C19H12O4	304.073558872	0.015997
-mz_00001	175.01	HMDB15176	C13H18Cl2N2O2	304.074533244	0.016485
-mz_00001	175.01	HMDB03152	C7H8N2O	136.063662888	0.016821
-mz_00001	175.01	HMDB33947	C7H8N2O	136.063662888	0.016821
-mz_00001	175.01	HMDB37819	C7H8N2O	136.063662888	0.016821
-mz_00001	175.01	HMDB30001	C7H8N2O	136.063662888	0.016821
-mz_00001	175.01	HMDB59711	C7H8N2O	136.063662888	0.016821
-mz_00001	175.01	HMDB40357	C18H14O5	310.084123558	0.017279
-mz_00001	175.01	HMDB03315	C6H10O	98.073164942	0.017795
-mz_00001	175.01	HMDB31563	C6H10O	98.073164942	0.017795
-mz_00001	175.01	HMDB30332	C6H10O	98.073164942	0.017795
-mz_00001	175.01	HMDB31564	C6H10O	98.073164942	0.017795
-mz_00001	175.01	HMDB33714	C6H10O	98.073164942	0.017795
-mz_00001	175.01	HMDB33549	C6H10O	98.073164942	0.017795
-mz_00001	175.01	HMDB31498	C6H10O	98.073164942	0.017795
-mz_00001	175.01	HMDB31497	C6H10O	98.073164942	0.017795
-mz_00001	175.01	HMDB31196	C6H10O	98.073164942	0.017795
-mz_00001	175.01	HMDB31496	C6H10O	98.073164942	0.017795
-mz_00001	175.01	HMDB35239	C6H10O	98.073164942	0.017795
-mz_00001	175.01	HMDB40264	C6H10O	98.073164942	0.017795
-mz_00001	175.01	HMDB40271	C6H10O	98.073164942	0.017795
-mz_00001	175.01	HMDB62031	C6H10O	98.073164942	0.017795
-mz_00001	175.01	HMDB62127	C6H10O	98.073164942	0.017795
-mz_00001	175.01	HMDB62136	C7H14	98.109550448	0.01859
-mz_00001	175.01	HMDB61783	C7H14	98.109550448	0.01859
-mz_00001	175.01	HMDB61892	C7H14	98.109550448	0.01859
-mz_00001	175.01	HMDB61893	C7H14	98.109550448	0.01859
-mz_00001	175.01	HMDB61895	C7H14	98.109550448	0.01859
-mz_00001	175.01	HMDB61894	C7H14	98.109550448	0.01859
-mz_00001	175.01	HMDB15679	C13H8Cl2N2O4	325.986112168	0.018697
-mz_00001	175.01	HMDB61135	C16H17ClN2S	304.080096951	0.019266
-mz_00001	175.01	HMDB29199	C14H14O9	326.063782046	0.020138
-mz_00001	175.01	HMDB12152	C9H17O12P	348.04576252	0.020157
-mz_00001	175.01	HMDB00175	C10H13N4O8P	348.047099924	0.020826
-mz_00001	175.01	HMDB11681	C10H13N4O8P	348.047099924	0.020826
-mz_00001	175.01	HMDB14684	C4H3FN2O2	130.017855555	0.020984
-mz_00001	175.01	HMDB39638	C9H6N2S	174.025168892	0.022445
-mz_00001	175.01	HMDB60086	C18H24N4O8S	456.131484454	0.023046
-mz_00001	175.01	HMDB14649	C12H9N3O5S	307.026291103	0.023696
-mz_00001	175.01	HMDB00695	C6H10O3	130.062994186	0.024154
-mz_00001	175.01	HMDB00408	C6H10O3	130.062994186	0.024154
-mz_00001	175.01	HMDB00491	C6H10O3	130.062994186	0.024154
-mz_00001	175.01	HMDB01864	C6H10O3	130.062994186	0.024154
-mz_00001	175.01	HMDB06024	C6H10O3	130.062994186	0.024154
-mz_00001	175.01	HMDB10717	C6H10O3	130.062994186	0.024154
-mz_00001	175.01	HMDB33302	C6H10O3	130.062994186	0.024154
-mz_00001	175.01	HMDB33286	C6H10O3	130.062994186	0.024154
-mz_00001	175.01	HMDB31216	C6H10O3	130.062994186	0.024154
-mz_00001	175.01	HMDB31218	C6H10O3	130.062994186	0.024154
-mz_00001	175.01	HMDB33698	C6H10O3	130.062994186	0.024154
-mz_00001	175.01	HMDB31214	C6H10O3	130.062994186	0.024154
-mz_00001	175.01	HMDB59876	C6H10O3	130.062994186	0.024154
-mz_00001	175.01	HMDB12882	C6H10O3	130.062994186	0.024154
-mz_00001	175.01	HMDB61881	C6H10O3	130.062994186	0.024154
-mz_00001	175.01	HMDB59664	C4H8O2S2	151.99657088	0.024211
-mz_00001	175.01	HMDB31188	C2H4OS	75.99828544	0.024211
-mz_00001	175.01	HMDB35716	C4H8O2S2	151.99657088	0.024211
-mz_00001	175.01	HMDB33670	C4H8O2S2	151.99657088	0.024211
-mz_00001	175.01	HMDB01067	C11H16N2O8	304.090665498	0.024551
-mz_00001	175.01	HMDB02818	C4H2N2O4	142.001456562	0.024946
-mz_00001	175.01	HMDB38442	C4H7NS2	133.001990609	0.025814
-mz_00001	175.01	HMDB00703	C8H8O3	152.047344122	0.026562
-mz_00001	175.01	HMDB01101	C8H8O3	152.047344122	0.026562
-mz_00001	175.01	HMDB00020	C8H8O3	152.047344122	0.026562
-mz_00001	175.01	HMDB00440	C8H8O3	152.047344122	0.026562
-mz_00001	175.01	HMDB00669	C8H8O3	152.047344122	0.026562
-mz_00001	175.01	HMDB02390	C8H8O3	152.047344122	0.026562
-mz_00001	175.01	HMDB03791	C8H8O3	152.047344122	0.026562
-mz_00001	175.01	HMDB04815	C8H8O3	152.047344122	0.026562
-mz_00001	175.01	HMDB12308	C8H8O3	152.047344122	0.026562
-mz_00001	175.01	HMDB30662	C16H16O6	304.094688244	0.026562
-mz_00001	175.01	HMDB41507	C16H16O6	304.094688244	0.026562
-mz_00001	175.01	HMDB36907	C8H8O3	152.047344122	0.026562
-mz_00001	175.01	HMDB32919	C8H8O3	152.047344122	0.026562
-mz_00001	175.01	HMDB41283	C8H8O3	152.047344122	0.026562
-mz_00001	175.01	HMDB29657	C8H8O3	152.047344122	0.026562
-mz_00001	175.01	HMDB32606	C8H8O3	152.047344122	0.026562
-mz_00001	175.01	HMDB34172	C8H8O3	152.047344122	0.026562
-mz_00001	175.01	HMDB30745	C16H16O6	304.094688244	0.026562
-mz_00001	175.01	HMDB32604	C8H8O3	152.047344122	0.026562
-mz_00001	175.01	HMDB29661	C8H8O3	152.047344122	0.026562
-mz_00001	175.01	HMDB29662	C8H8O3	152.047344122	0.026562
-mz_00001	175.01	HMDB32572	C8H8O3	152.047344122	0.026562
-mz_00001	175.01	HMDB32629	C8H8O3	152.047344122	0.026562
-mz_00001	175.01	HMDB33003	C8H8O3	152.047344122	0.026562
-mz_00001	175.01	HMDB41294	C16H16O6	304.094688244	0.026562
-mz_00001	175.01	HMDB32594	C8H8O3	152.047344122	0.026562
-mz_00001	175.01	HMDB31609	C8H8O3	152.047344122	0.026562
-mz_00001	175.01	HMDB29658	C8H8O3	152.047344122	0.026562
-mz_00001	175.01	HMDB29659	C8H8O3	152.047344122	0.026562
-mz_00001	175.01	HMDB33866	C16H16O6	304.094688244	0.026562
-mz_00001	175.01	HMDB29660	C8H8O3	152.047344122	0.026562
-mz_00001	175.01	HMDB32399	C8H8O3	152.047344122	0.026562
-mz_00001	175.01	HMDB38519	C16H16O6	304.094688244	0.026562
-mz_00001	175.01	HMDB29179	C16H16O6	304.094688244	0.026562
-mz_00001	175.01	HMDB29175	C16H16O6	304.094688244	0.026562
-mz_00001	175.01	HMDB29228	C16H16O6	304.094688244	0.026562
-mz_00001	175.01	HMDB29231	C16H16O6	304.094688244	0.026562
-mz_00001	175.01	HMDB60390	C8H8O3	152.047344122	0.026562
-mz_00001	175.01	HMDB62005	C8H8O3	152.047344118	0.026562
-mz_00001	175.01	HMDB11659	C5H12O4	136.073558872	0.026717
-mz_00001	175.01	HMDB33919	C5H12O4	136.073558872	0.026717
-mz_00001	175.01	HMDB31201	C5H12O4	136.073558872	0.026717
-mz_00001	175.01	HMDB14805	C5H15N3O8P2	307.033437495	0.027269
-mz_00001	175.01	HMDB00973	HO4P	95.961245032	0.027535
-mz_00001	175.01	HMDB36343	C18H14O6	326.07903818	0.027766
-mz_00001	175.01	HMDB33100	C18H14O6	326.07903818	0.027766
-mz_00001	175.01	HMDB37570	C18H14O6	326.07903818	0.027766
-mz_00001	175.01	HMDB30590	C18H14O6	326.07903818	0.027766
-mz_00001	175.01	HMDB35880	C15H18O7	310.10525293	0.027843
-mz_00001	175.01	HMDB30293	C15H18O7	310.10525293	0.027843
-mz_00001	175.01	HMDB39958	C15H18O7	310.10525293	0.027843
-mz_00001	175.01	HMDB01216	C6H8N4	136.074896276	0.028054
-mz_00001	175.01	HMDB01525	C3H4N2	68.037448138	0.028054
-mz_00001	175.01	HMDB30577	C10H6O3	174.031694058	0.02897
-mz_00001	175.01	HMDB30773	C10H6O3	174.031694058	0.02897
-mz_00001	175.01	HMDB59586	C8HF17O3S	499.937494073	0.029579
-mz_00001	175.01	HMDB32943	C12H21N2O3PS	304.10104975	0.029743
-mz_00001	175.01	HMDB33548	C5H6O2S	130.008850126	0.02999
-mz_00001	175.01	HMDB34073	C10H16N4O7	304.101898886	0.030167
-mz_00001	175.01	HMDB39723	C11H18O11	326.084911418	0.030703
-mz_00001	175.01	HMDB40737	C11H18O11	326.084911418	0.030703
-mz_00001	175.01	HMDB60455	C6H3ClO4	173.971986291	0.030738
-mz_00001	175.01	HMDB38263	C23H22O14	522.100955412	0.030928
-mz_00001	175.01	HMDB37457	C23H22O14	522.100955412	0.030928
-mz_00001	175.01	HMDB35462	C23H22O14	522.100955412	0.030928
-mz_00001	175.01	HMDB38262	C23H22O14	522.100955412	0.030928
-mz_00001	175.01	HMDB12916	CH2NO2S	91.980624003	0.030994
-mz_00001	175.01	HMDB11688	C5H12O11P2	309.98548425	0.032041
-mz_00001	175.01	HMDB38665	C15H16N2O5	304.105921632	0.032179
-mz_00001	175.01	HMDB61312	C15H14ClNO2S	307.043377094	0.032239
-mz_00001	175.01	HMDB37731	C6H6O2S	142.008850126	0.032339
-mz_00001	175.01	HMDB37762	C6H6O2S	142.008850126	0.032339
-mz_00001	175.01	HMDB29719	C6H6O2S	142.008850126	0.032339
-mz_00001	175.01	HMDB60503	C5H4O2	96.021129372	0.032349
-mz_00001	175.01	HMDB32914	C5H4O2	96.021129372	0.032349
-mz_00001	175.01	HMDB62029	C5H4O2	96.021129369	0.032349
-mz_00001	175.01	HMDB01059	C6H16O18P4	499.928709756	0.032507
-mz_00001	175.01	HMDB01187	C6H16O18P4	499.928709756	0.032507
-mz_00001	175.01	HMDB03848	C6H16O18P4	499.928709756	0.032507
-mz_00001	175.01	HMDB04527	C6H16O18P4	499.928709756	0.032507
-mz_00001	175.01	HMDB11741	C14H18N2O6	310.116486318	0.03346
-mz_00001	175.01	HMDB15140	CH4N2O2	76.027277382	0.033773
-mz_00001	175.01	HMDB34833	H8N2S	68.040818956	0.034796
-mz_00001	175.01	HMDB33956	C4H7Cl2O4P	219.945900638	0.035259
-mz_00001	175.01	HMDB29396	C5H10N2O2	130.074227574	0.035388
-mz_00001	175.01	HMDB30405	C5H10N2O2	130.074227574	0.035388
-mz_00001	175.01	HMDB36635	C19H18O4	310.120509064	0.035472
-mz_00001	175.01	HMDB41298	C19H18O4	310.120509064	0.035472
-mz_00001	175.01	HMDB33310	C19H18O4	310.120509064	0.035472
-mz_00001	175.01	HMDB31744	C19H18O4	310.120509064	0.035472
-mz_00001	175.01	HMDB00839	C20H14N4	310.121846468	0.03614
-mz_00001	175.01	HMDB39926	C22H28O11S	500.135232428	0.036334
-mz_00001	175.01	HMDB01448	O4S	95.951729178	0.037051
-mz_00001	175.01	HMDB15102	C19H19ClN2	310.123676325	0.037055
-mz_00001	175.01	HMDB04230	C5H5NO2	111.032028409	0.037793
-mz_00001	175.01	HMDB38175	C5H5NO2	111.032028409	0.037793
-mz_00001	175.01	HMDB04194	C7H8N2O2	152.05857751	0.037796
-mz_00001	175.01	HMDB04193	C7H8N2O2	152.05857751	0.037796
-mz_00001	175.01	HMDB33581	C15H18O8	326.100167552	0.038331
-mz_00001	175.01	HMDB39509	C15H18O8	326.100167552	0.038331
-mz_00001	175.01	HMDB39167	C15H18O8	326.100167552	0.038331
-mz_00001	175.01	HMDB39169	C15H18O8	326.100167552	0.038331
-mz_00001	175.01	HMDB36936	C15H18O8	326.100167552	0.038331
-mz_00001	175.01	HMDB36735	C15H18O8	326.100167552	0.038331
-mz_00001	175.01	HMDB60077	C15H18O8	326.100167552	0.038331
-mz_00001	175.01	HMDB36981	C25H28O8	456.178417872	0.038691
-mz_00001	175.01	HMDB01202	C9H14N3O7P	307.056936329	0.039018
-mz_00001	175.01	HMDB60488	CH4Se	95.947821956	0.040958
-mz_00001	175.01	HMDB30879	C2H6SSe	141.93554271	0.040968
-mz_00001	175.01	HMDB03638	Cd	113.903358121	0.041302
-mz_00001	175.01	HMDB14694	C15H13N3O4S	331.062676609	0.041888
-mz_00001	175.01	HMDB34416	C4H8S3	151.978812326	0.04197
-mz_00001	175.01	HMDB37290	C4H8S3	151.978812326	0.04197
-mz_00001	175.01	HMDB31470	C4H8S3	151.978812326	0.04197
-mz_00001	175.01	HMDB31628	C9H12O	136.088815006	0.041973
-mz_00001	175.01	HMDB34378	C9H12O	136.088815006	0.041973
-mz_00001	175.01	HMDB31627	C9H12O	136.088815006	0.041973
-mz_00001	175.01	HMDB33962	C9H12O	136.088815006	0.041973
-mz_00001	175.01	HMDB31312	C9H12O	136.088815006	0.041973
-mz_00001	175.01	HMDB38985	C9H12O	136.088815006	0.041973
-mz_00001	175.01	HMDB32621	C9H12O	136.088815006	0.041973
-mz_00001	175.01	HMDB38988	C9H12O	136.088815006	0.041973
-mz_00001	175.01	HMDB32624	C9H12O	136.088815006	0.041973
-mz_00001	175.01	HMDB38986	C9H12O	136.088815006	0.041973
-mz_00001	175.01	HMDB39782	C9H12O	136.088815006	0.041973
-mz_00001	175.01	HMDB29667	C9H12O	136.088815006	0.041973
-mz_00001	175.01	HMDB32625	C9H12O	136.088815006	0.041973
-mz_00001	175.01	HMDB32149	C9H12O	136.088815006	0.041973
-mz_00001	175.01	HMDB32029	C9H12O	136.088815006	0.041973
-mz_00001	175.01	HMDB38987	C9H12O	136.088815006	0.041973
-mz_00001	175.01	HMDB38984	C9H12O	136.088815006	0.041973
-mz_00001	175.01	HMDB32544	C9H12O	136.088815006	0.041973
-mz_00001	175.01	HMDB31446	C9H12O	136.088815006	0.041973
-mz_00001	175.01	HMDB32441	C9H12O	136.088815006	0.041973
-mz_00001	175.01	HMDB59896	C9H12O	136.088815006	0.041973
-mz_00001	175.01	HMDB34894	C12H20N2O7	304.127051004	0.042744
-mz_00001	175.01	HMDB38696	C12H20N2O7	304.127051004	0.042744
-mz_00001	175.01	HMDB33909	C12H20N2O7	304.127051004	0.042744
-mz_00001	175.01	HMDB31537	C7H14S	130.081621138	0.042781
-mz_00001	175.01	HMDB02332	C3H4O5S	151.977943928	0.042838
-mz_00001	175.01	HMDB60768	C4H6N2O	98.048012824	0.042947
-mz_00001	175.01	HMDB37336	C24H26O13	522.137340918	0.043056
-mz_00001	175.01	HMDB33705	C24H26O13	522.137340918	0.043056
-mz_00001	175.01	HMDB62164	C4H7NO2S	133.019749643	0.043573
-mz_00001	175.01	HMDB12236	C6H9N2O5P	220.02490792	0.043748
-mz_00001	175.01	HMDB39123	C14H18N2O7	326.11140094	0.043947
-mz_00001	175.01	HMDB14843	C22H28N6O3S	456.194359482	0.044004
-mz_00001	175.01	HMDB39777	C28H24N2O7	500.158351132	0.04404
-mz_00001	175.01	HMDB00905	C10H14N5O6P	331.068169717	0.044635
-mz_00001	175.01	HMDB37494	C17H20O5	304.13107375	0.044755
-mz_00001	175.01	HMDB35790	C17H20O5	304.13107375	0.044755
-mz_00001	175.01	HMDB29305	C17H20O5	304.13107375	0.044755
-mz_00001	175.01	HMDB32956	C12H10O7	266.042652674	0.045149
-mz_00001	175.01	HMDB32746	C4H8OS2	136.001656258	0.045186
-mz_00001	175.01	HMDB32747	C4H8OS2	136.001656258	0.045186
-mz_00001	175.01	HMDB32744	C4H8OS2	136.001656258	0.045186
-mz_00001	175.01	HMDB32745	C4H8OS2	136.001656258	0.045186
-mz_00001	175.01	HMDB34015	C19H18O5	326.115423686	0.045959
-mz_00001	175.01	HMDB30606	C19H18O5	326.115423686	0.045959
-mz_00001	175.01	HMDB30605	C19H18O5	326.115423686	0.045959
-mz_00001	175.01	HMDB40315	C19H18O5	326.115423686	0.045959
-mz_00001	175.01	HMDB40313	C19H18O5	326.115423686	0.045959
-mz_00001	175.01	HMDB41299	C19H18O5	326.115423686	0.045959
-mz_00001	175.01	HMDB40930	C19H18O5	326.115423686	0.045959
-mz_00001	175.01	HMDB34279	C19H18O5	326.115423686	0.045959
-mz_00001	175.01	HMDB00508	C5H12O5	152.068473494	0.047691
-mz_00001	175.01	HMDB00568	C5H12O5	152.068473494	0.047691
-mz_00001	175.01	HMDB01851	C5H12O5	152.068473494	0.047691
-mz_00001	175.01	HMDB02917	C5H12O5	152.068473494	0.047691
-mz_00001	175.01	HMDB33730	C5H12O5	152.068473494	0.047691
-mz_00001	175.01	HMDB39788	C5H6S2	129.991091572	0.047748
-mz_00001	175.01	HMDB39787	C5H6S2	129.991091572	0.047748
-mz_00001	175.01	HMDB31853	C5H6S2	129.991091572	0.047748
-mz_00001	175.01	HMDB32939	C5H6S2	129.991091572	0.047748
-mz_00001	175.01	HMDB14118	C2HF3O2	113.992863891	0.048204
-mz_00001	175.01	HMDB31238	C3H8S	76.034670946	0.04856
-mz_00001	175.01	HMDB31634	C3H8S	76.034670946	0.04856
-mz_00001	175.01	HMDB34238	C3H8S	76.034670946	0.04856
-mz_00001	175.01	HMDB15583	C22H18N2	310.146998586	0.048716
-mz_00001	175.01	HMDB06590	C12H22O10	326.121296924	0.048895
-mz_00001	175.01	HMDB06701	C12H22O10	326.121296924	0.048895
-mz_00001	175.01	HMDB29523	C12H22O10	326.121296924	0.048895
-mz_00001	175.01	HMDB40154	C12H22O10	326.121296924	0.048895
-mz_00001	175.01	HMDB00630	C4H5N3O	111.043261797	0.049027
-mz_00001	175.01	HMDB14021	C19H19FN2O	310.148141445	0.049288
-mz_00001	175.01	HMDB60576	C19H19FN2O	310.148141445	0.049288
-mz_00001	175.01	HMDB03826	C13H18N4O6	326.122634328	0.049564
-mz_00002	238.19	HMDB04043	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB36086	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB04472	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB05812	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB35861	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB38025	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB37049	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB31410	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB41034	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB35815	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB35819	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB36126	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB36112	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB37047	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB36196	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB35955	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB36068	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB34976	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB35818	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB36077	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB37019	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB34848	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB35820	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB35842	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB35954	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB37016	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB35783	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB35825	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB37048	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB36096	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB37133	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB36097	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB36993	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB36991	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB37007	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB35841	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB32118	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB36100	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB37006	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB35823	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB37161	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB37215	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB41014	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB35155	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB36996	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB30999	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB36101	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB36102	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB36107	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB36041	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB34972	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB40448	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB37214	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB34969	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB36078	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB38185	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB35838	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB35162	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB34932	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB35272	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB35833	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB32530	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB59881	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB59864	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB59869	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB61802	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB01422	C9H21N2O3	205.155217548	0.001293
-mz_00002	238.19	HMDB30326	C9H17NO	155.131014171	0.001384
-mz_00002	238.19	HMDB31179	C9H17NO	155.131014171	0.001384
-mz_00002	238.19	HMDB39833	C9H17NO	155.131014171	0.001384
-mz_00002	238.19	HMDB39834	C9H17NO	155.131014171	0.001384
-mz_00002	238.19	HMDB14888	C13H20N2O	220.157563272	0.001386
-mz_00002	238.19	HMDB14362	C10H15N3	177.126597495	0.001937
-mz_00002	238.19	HMDB30898	C28H40O	392.307915902	0.002219
-mz_00002	238.19	HMDB40385	C39H41NO9	667.278131915	0.002234
-mz_00002	238.19	HMDB39692	C30H50O4	474.370910088	0.002731
-mz_00002	238.19	HMDB34644	C30H50O4	474.370910088	0.002731
-mz_00002	238.19	HMDB34683	C30H50O4	474.370910088	0.002731
-mz_00002	238.19	HMDB34505	C30H50O4	474.370910088	0.002731
-mz_00002	238.19	HMDB35326	C30H50O4	474.370910088	0.002731
-mz_00002	238.19	HMDB34528	C30H50O4	474.370910088	0.002731
-mz_00002	238.19	HMDB15415	C12H21N5O3	283.164439563	0.00328
-mz_00002	238.19	HMDB28890	C12H21N5O3	283.164439563	0.00328
-mz_00002	238.19	HMDB28953	C12H21N5O3	283.164439563	0.00328
-mz_00002	238.19	HMDB41845	C12H21N5O3	283.164439563	0.00328
-mz_00002	238.19	HMDB12189	C8H21N3	159.173547687	0.004768
-mz_00002	238.19	HMDB31506	C8H21N3	159.173547687	0.004768
-mz_00002	238.19	HMDB34814	C30H54O	430.41746635	0.007951
-mz_00002	238.19	HMDB04437	C4H11NO2	105.078978601	0.008923
-mz_00002	238.19	HMDB34839	C31H48O2	452.36543078	0.009038
-mz_00002	238.19	HMDB60502	C31H48O2	452.36543078	0.009038
-mz_00002	238.19	HMDB35234	C29H56O2	436.428031036	0.009233
-mz_00002	238.19	HMDB37327	C29H56O2	436.428031036	0.009233
-mz_00002	238.19	HMDB35536	C29H56O2	436.428031036	0.009233
-mz_00002	238.19	HMDB35537	C29H56O2	436.428031036	0.009233
-mz_00002	238.19	HMDB37328	C29H56O2	436.428031036	0.009233
-mz_00002	238.19	HMDB14968	C11H15NO	177.115364107	0.009296
-mz_00002	238.19	HMDB40017	C11H15NO	177.115364107	0.009296
-mz_00002	238.19	HMDB39667	C11H15NO	177.115364107	0.009296
-mz_00002	238.19	HMDB33484	C11H15NO	177.115364107	0.009296
-mz_00002	238.19	HMDB39664	C11H15NO	177.115364107	0.009296
-mz_00002	238.19	HMDB40018	C11H15NO	177.115364107	0.009296
-mz_00002	238.19	HMDB40020	C11H15NO	177.115364107	0.009296
-mz_00002	238.19	HMDB40027	C11H15NO	177.115364107	0.009296
-mz_00002	238.19	HMDB40014	C11H15NO	177.115364107	0.009296
-mz_00002	238.19	HMDB40019	C11H15NO	177.115364107	0.009296
-mz_00002	238.19	HMDB41923	C11H15NO	177.115364107	0.009296
-mz_00002	238.19	HMDB30273	C28H46N2O4	474.34575797	0.009845
-mz_00002	238.19	HMDB00698	C26H43NO4	433.319208869	0.009846
-mz_00002	238.19	HMDB15072	C13H19NO	205.146664235	0.009847
-mz_00002	238.19	HMDB00946	C24H40O4	392.292659768	0.009847
-mz_00002	238.19	HMDB03315	C6H10O	98.073164942	0.009847
-mz_00002	238.19	HMDB00348	C24H40O4	392.292659768	0.009847
-mz_00002	238.19	HMDB00361	C24H40O4	392.292659768	0.009847
-mz_00002	238.19	HMDB00384	C24H40O4	392.292659768	0.009847
-mz_00002	238.19	HMDB00411	C24H40O4	392.292659768	0.009847
-mz_00002	238.19	HMDB00438	C24H40O4	392.292659768	0.009847
-mz_00002	238.19	HMDB00478	C24H40O4	392.292659768	0.009847
-mz_00002	238.19	HMDB00514	C24H40O4	392.292659768	0.009847
-mz_00002	238.19	HMDB00518	C24H40O4	392.292659768	0.009847
-mz_00002	238.19	HMDB00626	C24H40O4	392.292659768	0.009847
-mz_00002	238.19	HMDB00664	C24H40O4	392.292659768	0.009847
-mz_00002	238.19	HMDB00686	C24H40O4	392.292659768	0.009847
-mz_00002	238.19	HMDB00733	C24H40O4	392.292659768	0.009847
-mz_00002	238.19	HMDB00811	C24H40O4	392.292659768	0.009847
-mz_00002	238.19	HMDB02451	C24H40O4	392.292659768	0.009847
-mz_00002	238.19	HMDB02488	C24H40O4	392.292659768	0.009847
-mz_00002	238.19	HMDB02536	C24H40O4	392.292659768	0.009847
-mz_00002	238.19	HMDB02585	C24H40O4	392.292659768	0.009847
-mz_00002	238.19	HMDB32901	C12H20O2	196.146329884	0.009847
-mz_00002	238.19	HMDB31692	C12H20O2	196.146329884	0.009847
-mz_00002	238.19	HMDB31030	C12H20O2	196.146329884	0.009847
-mz_00002	238.19	HMDB36599	C12H20O2	196.146329884	0.009847
-mz_00002	238.19	HMDB34903	C12H20O2	196.146329884	0.009847
-mz_00002	238.19	HMDB39539	C14H20O2	220.146329884	0.009847
-mz_00002	238.19	HMDB38996	C14H20O2	220.146329884	0.009847
-mz_00002	238.19	HMDB37606	C14H20O2	220.146329884	0.009847
-mz_00002	238.19	HMDB31563	C6H10O	98.073164942	0.009847
-mz_00002	238.19	HMDB38280	C12H20O2	196.146329884	0.009847
-mz_00002	238.19	HMDB41469	C12H20O2	196.146329884	0.009847
-mz_00002	238.19	HMDB30332	C6H10O	98.073164942	0.009847
-mz_00002	238.19	HMDB32193	C12H20O2	196.146329884	0.009847
-mz_00002	238.19	HMDB40277	C7H10O	110.073164942	0.009847
-mz_00002	238.19	HMDB35157	C12H20O2	196.146329884	0.009847
-mz_00002	238.19	HMDB36389	C14H20O2	220.146329884	0.009847
-mz_00002	238.19	HMDB40206	C12H20O2	196.146329884	0.009847
-mz_00002	238.19	HMDB31564	C6H10O	98.073164942	0.009847
-mz_00002	238.19	HMDB29728	C7H10O	110.073164942	0.009847
-mz_00002	238.19	HMDB40217	C14H20O2	220.146329884	0.009847
-mz_00002	238.19	HMDB40226	C14H20O2	220.146329884	0.009847
-mz_00002	238.19	HMDB30867	C12H20O2	196.146329884	0.009847
-mz_00002	238.19	HMDB38270	C12H20O2	196.146329884	0.009847
-mz_00002	238.19	HMDB30945	C12H20O2	196.146329884	0.009847
-mz_00002	238.19	HMDB33714	C6H10O	98.073164942	0.009847
-mz_00002	238.19	HMDB33549	C6H10O	98.073164942	0.009847
-mz_00002	238.19	HMDB31498	C6H10O	98.073164942	0.009847
-mz_00002	238.19	HMDB31497	C6H10O	98.073164942	0.009847
-mz_00002	238.19	HMDB31196	C6H10O	98.073164942	0.009847
-mz_00002	238.19	HMDB39522	C12H20O2	196.146329884	0.009847
-mz_00002	238.19	HMDB40725	C12H20O2	196.146329884	0.009847
-mz_00002	238.19	HMDB13817	C14H20O2	220.146329884	0.009847
-mz_00002	238.19	HMDB29721	C7H10O	110.073164942	0.009847
-mz_00002	238.19	HMDB37718	C14H20O2	220.146329884	0.009847
-mz_00002	238.19	HMDB31496	C6H10O	98.073164942	0.009847
-mz_00002	238.19	HMDB31541	C7H10O	110.073164942	0.009847
-mz_00002	238.19	HMDB36048	C12H20O2	196.146329884	0.009847
-mz_00002	238.19	HMDB40397	C12H20O2	196.146329884	0.009847
-mz_00002	238.19	HMDB32051	C12H20O2	196.146329884	0.009847
-mz_00002	238.19	HMDB35239	C6H10O	98.073164942	0.009847
-mz_00002	238.19	HMDB41494	C12H20O2	196.146329884	0.009847
-mz_00002	238.19	HMDB40264	C6H10O	98.073164942	0.009847
-mz_00002	238.19	HMDB37714	C14H20O2	220.146329884	0.009847
-mz_00002	238.19	HMDB40278	C7H10O	110.073164942	0.009847
-mz_00002	238.19	HMDB40227	C12H20O2	196.146329884	0.009847
-mz_00002	238.19	HMDB37301	C12H20O2	196.146329884	0.009847
-mz_00002	238.19	HMDB61891	C7H10O	110.073164942	0.009847
-mz_00002	238.19	HMDB40271	C6H10O	98.073164942	0.009847
-mz_00002	238.19	HMDB32331	C12H20O2	196.146329884	0.009847
-mz_00002	238.19	HMDB62144	C12H20O2	196.146329884	0.009847
-mz_00002	238.19	HMDB60843	C13H19NO	205.146664235	0.009847
-mz_00002	238.19	HMDB61816	C12H20O2	196.146329884	0.009847
-mz_00002	238.19	HMDB62031	C6H10O	98.073164942	0.009847
-mz_00002	238.19	HMDB62127	C6H10O	98.073164942	0.009847
-mz_00002	238.19	HMDB07895	C38H76NO7P	689.535940303	0.010097
-mz_00002	238.19	HMDB08917	C38H76NO7P	689.535940303	0.010097
-mz_00002	238.19	HMDB11203	C38H76NO7P	689.535940303	0.010097
-mz_00002	238.19	HMDB11370	C38H76NO7P	689.535940303	0.010097
-mz_00002	238.19	HMDB13402	C38H76NO7P	689.535940303	0.010097
-mz_00002	238.19	HMDB13403	C38H76NO7P	689.535940303	0.010097
-mz_00002	238.19	HMDB01893	C29H50O2	430.381080844	0.010242
-mz_00002	238.19	HMDB12171	C29H50O2	430.381080844	0.010242
-mz_00002	238.19	HMDB30022	C29H50O2	430.381080844	0.010242
-mz_00002	238.19	HMDB59642	C29H50O2	430.381080844	0.010242
-mz_00002	238.19	HMDB37163	C11H24O4	220.167459256	0.011282
-mz_00002	238.19	HMDB30083	C10H22O2	174.161979948	0.012255
-mz_00002	238.19	HMDB37639	C10H22O2	174.161979948	0.012255
-mz_00002	238.19	HMDB40267	C10H22O2	174.161979948	0.012255
-mz_00002	238.19	HMDB61936	C10H22O2	174.161979948	0.012255
-mz_00002	238.19	HMDB37787	C5H10N2	98.08439833	0.01262
-mz_00002	238.19	HMDB01009	C11H17N2	177.139173554	0.014514
-mz_00002	238.19	HMDB35144	C29H46O5	474.334524582	0.015462
-mz_00002	238.19	HMDB35221	C29H46O5	474.334524582	0.015462
-mz_00002	238.19	HMDB00483	C27H48O5	452.350174646	0.016666
-mz_00002	238.19	HMDB00513	C27H48O5	452.350174646	0.016666
-mz_00002	238.19	HMDB00556	C27H48O5	452.350174646	0.016666
-mz_00002	238.19	HMDB00558	C27H48O5	452.350174646	0.016666
-mz_00002	238.19	HMDB02180	C27H48O5	452.350174646	0.016666
-mz_00002	238.19	HMDB02208	C27H48O5	452.350174646	0.016666
-mz_00002	238.19	HMDB60994	C15H25NO4	283.178358293	0.017198
-mz_00002	238.19	HMDB39019	C27H36O2	392.271530396	0.020412
-mz_00002	238.19	HMDB08838	C39H70NO8P	711.483904733	0.021422
-mz_00002	238.19	HMDB08839	C39H70NO8P	711.483904733	0.021422
-mz_00002	238.19	HMDB08870	C39H70NO8P	711.483904733	0.021422
-mz_00002	238.19	HMDB08869	C39H70NO8P	711.483904733	0.021422
-mz_00002	238.19	HMDB08931	C39H70NO8P	711.483904733	0.021422
-mz_00002	238.19	HMDB08963	C39H70NO8P	711.483904733	0.021422
-mz_00002	238.19	HMDB08962	C39H70NO8P	711.483904733	0.021422
-mz_00002	238.19	HMDB09122	C39H70NO8P	711.483904733	0.021422
-mz_00002	238.19	HMDB09155	C39H70NO8P	711.483904733	0.021422
-mz_00002	238.19	HMDB09187	C39H70NO8P	711.483904733	0.021422
-mz_00002	238.19	HMDB09317	C39H70NO8P	711.483904733	0.021422
-mz_00002	238.19	HMDB09350	C39H70NO8P	711.483904733	0.021422
-mz_00002	238.19	HMDB09382	C39H70NO8P	711.483904733	0.021422
-mz_00002	238.19	HMDB09415	C39H70NO8P	711.483904733	0.021422
-mz_00002	238.19	HMDB07901	C37H72NO8P	689.499554797	0.022225
-mz_00002	238.19	HMDB07933	C37H72NO8P	689.499554797	0.022225
-mz_00002	238.19	HMDB08827	C37H72NO8P	689.49955528	0.022225
-mz_00002	238.19	HMDB08828	C37H72NO8P	689.49955528	0.022225
-mz_00002	238.19	HMDB08859	C37H72NO8P	689.499554797	0.022225
-mz_00002	238.19	HMDB08924	C37H72NO8P	689.49955528	0.022225
-mz_00002	238.19	HMDB08956	C37H72NO8P	689.49955528	0.022225
-mz_00002	238.19	HMDB08987	C37H72NO8P	689.499554797	0.022225
-mz_00002	238.19	HMDB09019	C37H72NO8P	689.49955528	0.022225
-mz_00002	238.19	HMDB09052	C37H72NO8P	689.49955528	0.022225
-mz_00002	238.19	HMDB15050	C10H15N5	205.132745505	0.023765
-mz_00002	238.19	HMDB35360	C7H15NO4	177.100107973	0.024552
-mz_00002	238.19	HMDB29936	C9H20NO2	174.149403889	0.024831
-mz_00002	238.19	HMDB13223	C9H20NO2	174.149403889	0.024831
-mz_00002	238.19	HMDB04231	C9H19NO4	205.131408101	0.025103
-mz_00002	238.19	HMDB35645	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB37395	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB35720	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB39711	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB36118	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB35306	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB34940	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB30232	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB36793	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB35097	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB36789	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB35020	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB41490	C13H24O	196.18271539	0.026538
-mz_00002	238.19	HMDB40763	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB38209	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB33826	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB38123	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB38134	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB39532	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB35718	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB38193	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB36717	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB38208	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB36788	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB38160	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB35704	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB37069	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB35026	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB35793	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB38212	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB35739	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB38146	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB36420	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB36798	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB36402	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB36192	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB38119	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB37275	C13H24O	196.18271539	0.026538
-mz_00002	238.19	HMDB38982	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB37392	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB60356	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB34718	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB34661	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB38211	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB41404	C13H24O	196.18271539	0.026538
-mz_00002	238.19	HMDB36716	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB38512	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB35391	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB36172	C13H24O	196.18271539	0.026538
-mz_00002	238.19	HMDB38210	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB32220	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB32247	C13H24O	196.18271539	0.026538
-mz_00002	238.19	HMDB37811	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB13688	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB59836	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB60295	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB00520	C27H48O4	436.355260024	0.027153
-mz_00002	238.19	HMDB00524	C27H48O4	436.355260024	0.027153
-mz_00002	238.19	HMDB00655	C27H48O4	436.355260024	0.027153
-mz_00002	238.19	HMDB01231	C27H48O4	436.355260024	0.027153
-mz_00002	238.19	HMDB01968	C27H48O4	436.355260024	0.027153
-mz_00002	238.19	HMDB29851	C27H48O4	436.355260024	0.027153
-mz_00002	238.19	HMDB35888	C30H44O3	452.329045274	0.02723
-mz_00002	238.19	HMDB37065	C30H44O3	452.329045274	0.02723
-mz_00002	238.19	HMDB29993	C30H60O	436.464416542	0.027425
-mz_00002	238.19	HMDB30296	C30H60O	436.464416542	0.027425
-mz_00002	238.19	HMDB32868	C30H60O	436.464416542	0.027425
-mz_00002	238.19	HMDB60730	C23H36O5	392.256274262	0.02804
-mz_00002	238.19	HMDB12166	C28H46O3	430.344695338	0.028434
-mz_00002	238.19	HMDB37914	C28H46O3	430.344695338	0.028434
-mz_00002	238.19	HMDB38353	C28H46O3	430.344695338	0.028434
-mz_00002	238.19	HMDB35513	C28H46O3	430.344695338	0.028434
-mz_00002	238.19	HMDB10701	C36H72NO6P	645.509725553	0.030873
-mz_00002	238.19	HMDB38163	C15H16	196.125200512	0.030976
-mz_00002	238.19	HMDB32564	C15H16	196.125200512	0.030976
-mz_00002	238.19	HMDB38162	C15H16	196.125200512	0.030976
-mz_00002	238.19	HMDB14647	C19H25NO	283.193614427	0.032454
-mz_00002	238.19	HMDB13972	C19H25NO	283.193614427	0.032454
-mz_00002	238.19	HMDB28799	C11H17N5O4	283.128054057	0.033106
-mz_00002	238.19	HMDB29151	C11H17N5O4	283.128054057	0.033106
-mz_00002	238.19	HMDB28883	C11H17N5O4	283.128054057	0.033106
-mz_00002	238.19	HMDB28899	C11H17N5O4	283.128054057	0.033106
-mz_00002	238.19	HMDB15508	C15H21N	215.167399677	0.033382
-mz_00002	238.19	HMDB36683	C13H18	174.140850576	0.033384
-mz_00002	238.19	HMDB59826	C13H18	174.140850576	0.033384
-mz_00002	238.19	HMDB59696	C13H18	174.140850576	0.033384
-mz_00002	238.19	HMDB61824	C13H18	174.140850576	0.033384
-mz_00002	238.19	HMDB30085	C28H42O6	474.298139076	0.033654
-mz_00002	238.19	HMDB60061	C16H34NO5P	351.217459715	0.034173
-mz_00002	238.19	HMDB41940	C9H11N3O	177.090211989	0.034448
-mz_00002	238.19	HMDB29741	C10H16N2O2	196.121177766	0.034999
-mz_00002	238.19	HMDB40551	C10H16N2O2	196.121177766	0.034999
-mz_00002	238.19	HMDB30353	C8H13NO2	155.094628665	0.035001
-mz_00002	238.19	HMDB62098	C8H13NO2	155.094628663	0.035001
-mz_00002	238.19	HMDB31659	C5H13N	87.104799421	0.035364
-mz_00002	238.19	HMDB32392	C5H13N	87.104799421	0.035364
-mz_00002	238.19	HMDB31202	C12H29N3	215.236147943	0.035366
-mz_00002	238.19	HMDB35135	C9H14O2	154.099379692	0.03551
-mz_00002	238.19	HMDB38697	C9H14O2	154.099379692	0.03551
-mz_00002	238.19	HMDB38268	C9H14O2	154.099379692	0.03551
-mz_00002	238.19	HMDB31302	C9H14O2	154.099379692	0.03551
-mz_00002	238.19	HMDB37276	C9H14O2	154.099379692	0.03551
-mz_00002	238.19	HMDB36177	C9H14O2	154.099379692	0.03551
-mz_00002	238.19	HMDB36239	C9H14O2	154.099379692	0.03551
-mz_00002	238.19	HMDB40285	C9H14O2	154.099379692	0.03551
-mz_00002	238.19	HMDB32314	C9H14O2	154.099379692	0.03551
-mz_00002	238.19	HMDB32442	C9H14O2	154.099379692	0.03551
-mz_00002	238.19	HMDB60285	C9H14O2	154.099379692	0.03551
-mz_00002	238.19	HMDB29888	C24H46O6	430.329439204	0.036062
-mz_00002	238.19	HMDB29551	C11H22	154.172150704	0.037261
-mz_00002	238.19	HMDB31205	C11H22	154.172150704	0.037261
-mz_00002	238.19	HMDB61812	C11H22	154.172150704	0.037261
-mz_00002	238.19	HMDB62070	C11H22	154.172150708	0.037261
-mz_00002	238.19	HMDB60817	C10H21N3O2	215.163376931	0.037405
-mz_00002	238.19	HMDB33870	C4H9NO	87.068413915	0.037407
-mz_00002	238.19	HMDB01080	C4H9NO	87.068413915	0.037407
-mz_00002	238.19	HMDB60247	C4H9NO	87.068413915	0.037407
-mz_00002	238.19	HMDB31581	C4H9NO	87.068413915	0.037407
-mz_00002	238.19	HMDB31215	C4H9NO	87.068413915	0.037407
-mz_00002	238.19	HMDB13287	C8H18N2O2	174.13682783	0.037407
-mz_00002	238.19	HMDB04649	C30H44O2	436.334130652	0.037718
-mz_00002	238.19	HMDB35983	C30H44O2	436.334130652	0.037718
-mz_00002	238.19	HMDB30395	C30H44O2	436.334130652	0.037718
-mz_00002	238.19	HMDB15659	C10H21N	155.167399677	0.03777
-mz_00002	238.19	HMDB32350	C10H21N	155.167399677	0.03777
-mz_00002	238.19	HMDB29987	C30H60O2	452.459331164	0.037913
-mz_00002	238.19	HMDB30925	C30H60O2	452.459331164	0.037913
-mz_00002	238.19	HMDB31977	C26H32O3	392.23514489	0.038605
-mz_00002	238.19	HMDB35640	C31H42O	430.323565966	0.038999
-mz_00002	238.19	HMDB07003	C19H37O6P	392.232775428	0.039789
-mz_00002	238.19	HMDB02372	C17H17NO3	283.120843415	0.040317
-mz_00002	238.19	HMDB03563	C17H17NO3	283.120843415	0.040317
-mz_00002	238.19	HMDB30191	C17H17NO3	283.120843415	0.040317
-mz_00002	238.19	HMDB39521	C17H17NO3	283.120843415	0.040317
-mz_00002	238.19	HMDB34669	C17H17NO3	283.120843415	0.040317
-mz_00002	238.19	HMDB32845	C17H17NO3	283.120843415	0.040317
-mz_00002	238.19	HMDB14592	C19H29NO5	351.204573043	0.040616
-mz_00002	238.19	HMDB35472	C44H89NO5	711.674074963	0.041968
-mz_00002	238.19	HMDB14375	C8H17NO2	159.125928793	0.042851
-mz_00002	238.19	HMDB00991	C8H17NO2	159.125928793	0.042851
-mz_00002	238.19	HMDB59796	C29H57N5O12	667.400372313	0.042981
-mz_00002	238.19	HMDB08883	C35H68NO7P	645.473340047	0.043002
-mz_00002	238.19	HMDB11336	C35H68NO7P	645.473340047	0.043002
-mz_00002	238.19	HMDB12501	C23H39NO6S	457.249808675	0.044546
-mz_00002	238.19	HMDB29802	C27H52O	392.401816286	0.044731
-mz_00002	238.19	HMDB14354	C25H30NO3	392.222568831	0.044893
-mz_00002	238.19	HMDB02195	C26H44O5	436.318874518	0.045346
-mz_00002	238.19	HMDB30092	C31H64	436.500802048	0.045618
-mz_00002	238.19	HMDB01855	C10H11NO2	177.078978601	0.045681
-mz_00002	238.19	HMDB33482	C10H11NO2	177.078978601	0.045681
-mz_00002	238.19	HMDB37693	C10H11NO2	177.078978601	0.045681
-mz_00002	238.19	HMDB40045	C10H11NO2	177.078978601	0.045681
-mz_00002	238.19	HMDB12490	C10H11NO2	177.078978601	0.045681
-mz_00002	238.19	HMDB60063	C10H11NO2	177.078978601	0.045681
-mz_00002	238.19	HMDB40046	C12H15NO2	205.110278729	0.046232
-mz_00002	238.19	HMDB32589	C13H16O3	220.109944378	0.046233
-mz_00002	238.19	HMDB36226	C11H16O3	196.109944378	0.046233
-mz_00002	238.19	HMDB37734	C11H16O3	196.109944378	0.046233
-mz_00002	238.19	HMDB37492	C13H16O3	220.109944378	0.046233
-mz_00002	238.19	HMDB40424	C13H16O3	220.109944378	0.046233
-mz_00002	238.19	HMDB34662	C22H32O6	392.219888756	0.046233
-mz_00002	238.19	HMDB37725	C11H16O3	196.109944378	0.046233
-mz_00002	238.19	HMDB61823	C13H16O3	220.109944378	0.046233
-mz_00002	238.19	HMDB61942	C13H16O3	220.109944378	0.046233
-mz_00002	238.19	HMDB11560	C27H42O4	430.308309832	0.046627
-mz_00002	238.19	HMDB11590	C27H42O4	430.308309832	0.046627
-mz_00002	238.19	HMDB12458	C27H42O4	430.308309832	0.046627
-mz_00002	238.19	HMDB34403	C27H42O4	430.308309832	0.046627
-mz_00002	238.19	HMDB36249	C27H42O4	430.308309832	0.046627
-mz_00002	238.19	HMDB30066	C27H42O4	430.308309832	0.046627
-mz_00002	238.19	HMDB60127	C27H42O4	430.308309832	0.046627
-mz_00002	238.19	HMDB60128	C27H42O4	430.308309832	0.046627
-mz_00002	238.19	HMDB13279	C11H21NO3	215.152143543	0.048638
-mz_00002	238.19	HMDB34040	C9H18O3	174.125594442	0.048641
-mz_00002	238.19	HMDB31513	C9H18O3	174.125594442	0.048641
-mz_00002	238.19	HMDB41818	C16H14FN3O	283.11209029	0.04907
-mz_00002	238.19	HMDB12271	C5H11N3O4	177.074955855	0.049704
-mz_00003	420.16	HMDB60836	C17H17N3O4S	359.093976737	0.000683
-mz_00003	420.16	HMDB60838	C17H17N3O4S	359.093976737	0.000683
-mz_00003	420.16	HMDB33374	C16H19NO5S	337.098393413	0.001237
-mz_00003	420.16	HMDB00590	C7H11NO5	189.063722467	0.001268
-mz_00003	420.16	HMDB01138	C7H11NO5	189.063722467	0.001268
-mz_00003	420.16	HMDB14535	C15H23N3O4S	341.140926929	0.002147
-mz_00003	420.16	HMDB15135	C15H23N3O4S	341.140926929	0.002147
-mz_00003	420.16	HMDB30384	C19H18ClNO4	359.092435776	0.002224
-mz_00003	420.16	HMDB36989	C19H18ClNO4	359.092435776	0.002224
-mz_00003	420.16	HMDB30189	C19H18ClNO4	359.092435776	0.002224
-mz_00003	420.16	HMDB40341	C34H44O19	756.247679226	0.002337
-mz_00003	420.16	HMDB40372	C34H44O19	756.247679226	0.002337
-mz_00003	420.16	HMDB31695	C17H24O8	356.147117744	0.002883
-mz_00003	420.16	HMDB40558	C17H24O8	356.147117744	0.002883
-mz_00003	420.16	HMDB31574	C8H15NS2	189.064590865	0.003005
-mz_00003	420.16	HMDB32499	C8H15NS2	189.064590865	0.003005
-mz_00003	420.16	HMDB15253	C9H10N2O2	178.074227574	0.00422
-mz_00003	420.16	HMDB01267	C9H10N2O2	178.074227574	0.00422
-mz_00003	420.16	HMDB04145	C9H10N2O2	178.074227574	0.00422
-mz_00003	420.16	HMDB04146	C9H10N2O2	178.074227574	0.00422
-mz_00003	420.16	HMDB41452	C20H16O5	336.099773622	0.005116
-mz_00003	420.16	HMDB29533	C20H16O5	336.099773622	0.005116
-mz_00003	420.16	HMDB30141	C20H16O5	336.099773622	0.005116
-mz_00003	420.16	HMDB34027	C20H16O5	336.099773622	0.005116
-mz_00003	420.16	HMDB30450	C20H16O5	336.099773622	0.005116
-mz_00003	420.16	HMDB37922	C20H16O5	336.099773622	0.005116
-mz_00003	420.16	HMDB29791	C20H16O5	336.099773622	0.005116
-mz_00003	420.16	HMDB29787	C20H16O5	336.099773622	0.005116
-mz_00003	420.16	HMDB34050	C20H16O5	336.099773622	0.005116
-mz_00003	420.16	HMDB04662	C11H19N3O7S	337.094370667	0.005259
-mz_00003	420.16	HMDB39733	C11H19N3O7S	337.094370667	0.005259
-mz_00003	420.16	HMDB31401	C20H21NO7	387.131802031	0.005291
-mz_00003	420.16	HMDB35415	C21H22O8	402.13146768	0.005291
-mz_00003	420.16	HMDB39137	C19H22O8	378.13146768	0.005291
-mz_00003	420.16	HMDB35037	C19H22O8	378.13146768	0.005291
-mz_00003	420.16	HMDB29308	C21H22O8	402.13146768	0.005291
-mz_00003	420.16	HMDB37755	C21H22O8	402.13146768	0.005291
-mz_00003	420.16	HMDB39379	C21H22O8	402.13146768	0.005291
-mz_00003	420.16	HMDB29540	C21H22O8	402.13146768	0.005291
-mz_00003	420.16	HMDB29304	C19H22O8	378.13146768	0.005291
-mz_00003	420.16	HMDB33211	C18H17NO7	359.100501903	0.005842
-mz_00003	420.16	HMDB39157	C18H17NO7	359.100501903	0.005842
-mz_00003	420.16	HMDB29286	C18H17NO7	359.100501903	0.005842
-mz_00003	420.16	HMDB06591	C12H23NO10	341.132195961	0.006584
-mz_00003	420.16	HMDB11668	C12H23NO10	341.132195961	0.006584
-mz_00003	420.16	HMDB33395	C39H50O20	838.28954404	0.007952
-mz_00003	420.16	HMDB32864	C16H23NO7	341.147452095	0.008672
-mz_00003	420.16	HMDB30934	C14H17NO10	359.085245769	0.009414
-mz_00003	420.16	HMDB14502	C17H16F6N2O	378.116682374	0.009495
-mz_00003	420.16	HMDB37265	C16H21NO10	387.116545897	0.009965
-mz_00003	420.16	HMDB37262	C16H21NO10	387.116545897	0.009965
-mz_00003	420.16	HMDB59971	C17H22O11	402.116211546	0.009965
-mz_00003	420.16	HMDB59973	C17H22O11	402.116211546	0.009965
-mz_00003	420.16	HMDB28896	C17H19N5O3	341.148789499	0.010009
-mz_00003	420.16	HMDB29085	C17H19N5O3	341.148789499	0.010009
-mz_00003	420.16	HMDB00434	C10H12O4	196.073558872	0.010238
-mz_00003	420.16	HMDB40256	C10H12O4	196.073558872	0.010238
-mz_00003	420.16	HMDB35721	C10H12O4	196.073558872	0.010238
-mz_00003	420.16	HMDB30571	C10H12O4	196.073558872	0.010238
-mz_00003	420.16	HMDB29648	C10H12O4	196.073558872	0.010238
-mz_00003	420.16	HMDB37177	C10H12O4	196.073558872	0.010238
-mz_00003	420.16	HMDB29645	C10H12O4	196.073558872	0.010238
-mz_00003	420.16	HMDB39427	C10H12O4	196.073558872	0.010238
-mz_00003	420.16	HMDB40637	C10H12O4	196.073558872	0.010238
-mz_00003	420.16	HMDB32365	C10H12O4	196.073558872	0.010238
-mz_00003	420.16	HMDB62121	C10H12O4	196.073558872	0.010238
-mz_00003	420.16	HMDB60398	C10H12O4	196.073558872	0.010238
-mz_00003	420.16	HMDB60733	C10H12O4	196.073558872	0.010238
-mz_00003	420.16	HMDB60735	C10H12O4	196.073558872	0.010238
-mz_00003	420.16	HMDB11739	C12H26O13	378.137340918	0.011164
-mz_00003	420.16	HMDB33927	C12H20N2O9	336.116880248	0.01199
-mz_00003	420.16	HMDB33187	C14H10	178.07825032	0.012266
-mz_00003	420.16	HMDB33558	C13H24O11	356.13186161	0.012373
-mz_00003	420.16	HMDB35321	C13H24O11	356.13186161	0.012373
-mz_00003	420.16	HMDB41487	C13H24O11	356.13186161	0.012373
-mz_00003	420.16	HMDB39475	C13H24O11	356.13186161	0.012373
-mz_00003	420.16	HMDB29326	C19H19NO5	341.126322723	0.012457
-mz_00003	420.16	HMDB33366	C19H19NO5	341.126322723	0.012457
-mz_00003	420.16	HMDB14668	C20H29N3O2	343.225977187	0.014983
-mz_00003	420.16	HMDB41441	C22H18O6	378.110338308	0.015839
-mz_00003	420.16	HMDB31182	C16H19NO7	337.116151967	0.016522
-mz_00003	420.16	HMDB61008	C10H13ClN2	196.076726133	0.016572
-mz_00003	420.16	HMDB42015	C21H26N2O2S2	402.143569466	0.017392
-mz_00003	420.16	HMDB01857	C7H8N4O3	196.059640142	0.0176
-mz_00003	420.16	HMDB01982	C7H8N4O3	196.059640142	0.0176
-mz_00003	420.16	HMDB02026	C7H8N4O3	196.059640142	0.0176
-mz_00003	420.16	HMDB04308	C7H8N4O3	196.059640142	0.0176
-mz_00003	420.16	HMDB11103	C7H8N4O3	196.059640142	0.0176
-mz_00003	420.16	HMDB59704	C7H8N4O3	196.059640142	0.0176
-mz_00003	420.16	HMDB30328	C19H27NO7	381.178752223	0.01809
-mz_00003	420.16	HMDB41401	C21H24O5	356.162373878	0.018139
-mz_00003	420.16	HMDB30333	C21H24O5	356.162373878	0.018139
-mz_00003	420.16	HMDB33879	C21H24O5	356.162373878	0.018139
-mz_00003	420.16	HMDB33880	C21H24O5	356.162373878	0.018139
-mz_00003	420.16	HMDB30798	C21H24O5	356.162373878	0.018139
-mz_00003	420.16	HMDB35403	C21H24O5	356.162373878	0.018139
-mz_00003	420.16	HMDB30666	C21H24O5	356.162373878	0.018139
-mz_00003	420.16	HMDB35440	C21H24O5	356.162373878	0.018139
-mz_00003	420.16	HMDB30435	C22H23NO6	397.152537473	0.018245
-mz_00003	420.16	HMDB02040	C10H10O3	178.062994186	0.018247
-mz_00003	420.16	HMDB41290	C20H20O6	356.125988372	0.018247
-mz_00003	420.16	HMDB38774	C20H20O6	356.125988372	0.018247
-mz_00003	420.16	HMDB38965	C10H10O3	178.062994186	0.018247
-mz_00003	420.16	HMDB29459	C20H20O6	356.125988372	0.018247
-mz_00003	420.16	HMDB31055	C10H10O3	178.062994186	0.018247
-mz_00003	420.16	HMDB38712	C10H10O3	178.062994186	0.018247
-mz_00003	420.16	HMDB35525	C20H20O6	356.125988372	0.018247
-mz_00003	420.16	HMDB39471	C10H10O3	178.062994186	0.018247
-mz_00003	420.16	HMDB34213	C20H20O6	356.125988372	0.018247
-mz_00003	420.16	HMDB41123	C20H20O6	356.125988372	0.018247
-mz_00003	420.16	HMDB30682	C20H20O6	356.125988372	0.018247
-mz_00003	420.16	HMDB33027	C20H20O6	356.125988372	0.018247
-mz_00003	420.16	HMDB30903	C10H10O3	178.062994186	0.018247
-mz_00003	420.16	HMDB33248	C10H10O3	178.062994186	0.018247
-mz_00003	420.16	HMDB03409	C20H18NO4	336.123583069	0.018693
-mz_00003	420.16	HMDB61059	C19H22ClN5O2	387.14620268	0.019692
-mz_00003	420.16	HMDB61060	C19H22ClN5O2	387.14620268	0.019692
-mz_00003	420.16	HMDB11658	C15H15NO8	337.079766461	0.019864
-mz_00003	420.16	HMDB13189	C15H15NO8	337.079766461	0.019864
-mz_00003	420.16	HMDB00565	C6H12O7	196.058302738	0.020275
-mz_00003	420.16	HMDB00625	C6H12O7	196.058302738	0.020275
-mz_00003	420.16	HMDB03290	C6H12O7	196.058302738	0.020275
-mz_00003	420.16	HMDB29287	C16H16O8	336.084517488	0.020373
-mz_00003	420.16	HMDB29288	C16H16O8	336.084517488	0.020373
-mz_00003	420.16	HMDB33999	C16H16O8	336.084517488	0.020373
-mz_00003	420.16	HMDB30654	C16H16O8	336.084517488	0.020373
-mz_00003	420.16	HMDB33997	C16H16O8	336.084517488	0.020373
-mz_00003	420.16	HMDB33563	C16H16O8	336.084517488	0.020373
-mz_00003	420.16	HMDB34396	C33H40O20	756.21129372	0.02053
-mz_00003	420.16	HMDB40543	C33H40O20	756.21129372	0.02053
-mz_00003	420.16	HMDB39951	C33H40O20	756.21129372	0.02053
-mz_00003	420.16	HMDB41470	C33H40O20	756.21129372	0.02053
-mz_00003	420.16	HMDB38253	C33H40O20	756.21129372	0.02053
-mz_00003	420.16	HMDB38470	C33H40O20	756.21129372	0.02053
-mz_00003	420.16	HMDB37427	C33H40O20	756.21129372	0.02053
-mz_00003	420.16	HMDB35004	C33H40O20	756.21129372	0.02053
-mz_00003	420.16	HMDB37959	C33H40O20	756.21129372	0.02053
-mz_00003	420.16	HMDB38768	C33H40O20	756.21129372	0.02053
-mz_00003	420.16	HMDB37566	C33H40O20	756.21129372	0.02053
-mz_00003	420.16	HMDB40294	C33H40O20	756.21129372	0.02053
-mz_00003	420.16	HMDB37353	C33H40O20	756.21129372	0.02053
-mz_00003	420.16	HMDB37411	C33H40O20	756.21129372	0.02053
-mz_00003	420.16	HMDB40350	C23H22O5	378.146723814	0.020547
-mz_00003	420.16	HMDB30656	C23H22O5	378.146723814	0.020547
-mz_00003	420.16	HMDB61313	C21H20ClFNO	356.121745179	0.02249
-mz_00003	420.16	HMDB60562	C12H20N2O5S2	336.08136314	0.023527
-mz_00003	420.16	HMDB29419	C6H11N3O4	189.074955855	0.023735
-mz_00003	420.16	HMDB28731	C6H11N3O4	189.074955855	0.023735
-mz_00003	420.16	HMDB28836	C6H11N3O4	189.074955855	0.023735
-mz_00003	420.16	HMDB31791	C25H22ClNO3	419.128821282	0.023903
-mz_00003	420.16	HMDB14842	C20H23NO4	341.162708229	0.023928
-mz_00003	420.16	HMDB30184	C20H23NO4	341.162708229	0.023928
-mz_00003	420.16	HMDB31998	C20H23NO4	341.162708229	0.023928
-mz_00003	420.16	HMDB33789	C7H14O5	178.084123558	0.024012
-mz_00003	420.16	HMDB15264	C19H20N2O3S	356.119463206	0.024772
-mz_00003	420.16	HMDB14828	C21H23ClFN3O	387.151368285	0.024857
-mz_00003	420.16	HMDB29569	C8H18S2	178.084991956	0.025749
-mz_00003	420.16	HMDB40348	C8H18S2	178.084991956	0.025749
-mz_00003	420.16	HMDB15540	C21H27N3O7S	465.156970923	0.025811
-mz_00003	420.16	HMDB30340	C21H29NO3	343.214743799	0.026216
-mz_00003	420.16	HMDB33959	C21H29NO3	343.214743799	0.026216
-mz_00003	420.16	HMDB41190	C18H26O10	402.152597052	0.02642
-mz_00003	420.16	HMDB41514	C18H26O10	402.152597052	0.02642
-mz_00003	420.16	HMDB01260	C21H35N9O15P2	715.172784519	0.026511
-mz_00003	420.16	HMDB10336	C15H21NO9	359.121631275	0.026971
-mz_00003	420.16	HMDB29452	C15H21NO9	359.121631275	0.026971
-mz_00003	420.16	HMDB33107	C16H20N2O6	336.132136382	0.027246
-mz_00003	420.16	HMDB37997	C21H21O12	465.103301136	0.027859
-mz_00003	420.16	HMDB15576	C6H12N3PS	189.048954601	0.028268
-mz_00003	420.16	HMDB61129	C17H17ClO5	336.076451361	0.028439
-mz_00003	420.16	HMDB31826	C39H62NO16	800.406859941	0.028647
-mz_00003	420.16	HMDB15178	C19H22FN3O4	375.159434412	0.029406
-mz_00003	420.16	HMDB04645	C10H16N4O7S	336.073969576	0.03092
-mz_00003	420.16	HMDB41257	C20H18O9	402.095082174	0.031095
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-mz_00006	1100.45	HMDB15455	C53H67N9O10S	1021.473160099	0.04438
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-mz_00006	1100.45	HMDB01980	C46H65N13O12S2	1055.431705989	0.047134
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-mz_00006	1100.45	HMDB15595	C28H22F3N7O	529.183792976	0.048591
--- a/hmdb/test_data/out_test03.html	Thu Jan 28 10:52:26 2016 -0500
+++ /dev/null	Thu Jan 01 00:00:00 1970 +0000
@@ -1,1 +0,0 @@
-<?xml version="1.0" encoding="UTF-8" ?><!DOCTYPE html><html lang="en"><head><meta charset="utf-8"><meta name="viewport" content="width=device-width, initial-scale=1.0"><meta name="description" content=""><meta name="author" content="INRA de Clermont-Ferrand"><title>Galaxy HMDB queries - All results</title><link rel="stylesheet" type="text/css" href="css.php" media="all"><link rel="stylesheet" type="text/css" href="https://cdn.rawgit.com/fgiacomoni/galaxy_utils/master/style/simplePagination.css"/><!-- JavaScript --><script src="https://ajax.googleapis.com/ajax/libs/jquery/1.7.2/jquery.min.js"></script><script src="https://cdn.rawgit.com/fgiacomoni/galaxy_utils/master/scripts/jquery.simplePagination.js"></script><style type="text/css">body {padding-top: 70px}div.lm-table-warning {  font-size: 1.4em;  font-weight: bold;  padding-right: 25px;  color: #21536a;  margin-left: 3px;}tr.green td  {background-color: #eaf2d3; color: black;}tr.blank td {background-color: #9999CC; color: black;}table {font-family:'Trebuchet MS',Arial,Helvetica,sans-serif;width:100%;border-collapse:collapse;}table.detail, table.detail tr.parent, table.detail td, table.detail th, table.detail tr.category {border-collapse:collapse;border:1px solid #98bf21;}table.detail th {font-size: 1.2em;text-align: center;padding-top: 5px;padding-bottom: 10px;background-color: #a7c942;color: #ffffff;}td.ca {text-align:center;}footer {  margin: 50px 0;}</style><script>function test(pageNumber){  var page="#page-id-"+pageNumber;  $('.select').hide() ; $(page).show()}</script></head><body><div class="container"><div class="lm-table-warning">Results of HMDB queries - Search params : Molecular specie = positive / delta (mass-to-charge ratio) = 0.05</div><div id="detail_table_source" style="display:none"></div><p><div id="choose"></div><p><div id="ms_search_0" class="ms-search-table"></div><!-- HeadRows--><table id="detail_table" class="detail"><col style="width:30px;"><!-- Ids (m/z)--><col style="width:30px;"><!-- Mass (m/z)--><col style="width:30px;"><!-- Compound--><col style="width:120px;"><!-- name--><col style="width:40px;"><!-- adduct--><col style="width:50px;"><!-- adduct type--><col style="width:60px;"><!-- adduct mw--><col style="width:60px;"><!-- cpd mw--><col style="width:50px;"><!-- delta--><thead><th>ID from input</th><th>Mass (m/z)</th><th>Compound_ID</th><th>Formula</th><th>Compound MW (Da)</th><th>Adduct</th><th>Adduct_Type</th><th>Adduct MW (Da)</th><th>Delta</th></thead><tbody class="select" id="page-id-1"><tr class="white"><td class="ca" >mz_00001</td><td id="1" class="ca" >175.01</td><td class="ca" colspan="7"></td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB60293" target="_blank" class="btn">HMDB60293</a></td><td class="ca">H2O3S2</td><td class="ca">113.94453531</td><td class="ca">M+IsoProp+H</td><td class="ca">+</td><td class="ca">175.009875</td><td class="ca">0.000125</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB03745" target="_blank" class="btn">HMDB03745</a></td><td class="ca">C2H6O3S2</td><td class="ca">141.975835438</td><td class="ca">M+CH3OH+H</td><td class="ca">+</td><td class="ca">175.009324</td><td class="ca">0.000676</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31436" target="_blank" class="btn">HMDB31436</a></td><td class="ca">H4O4Si</td><td class="ca">95.987885149</td><td class="ca">M+DMSO+H</td><td class="ca">+</td><td class="ca">175.009105</td><td class="ca">0.000895</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33657" target="_blank" class="btn">HMDB33657</a></td><td class="ca">C17H10O6</td><td class="ca">310.047738052</td><td class="ca">M+H+K</td><td class="ca">+</td><td class="ca">175.009086</td><td class="ca">0.000914</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35230" target="_blank" class="btn">HMDB35230</a></td><td class="ca">C17H10O6</td><td class="ca">310.047738052</td><td class="ca">M+H+K</td><td class="ca">+</td><td class="ca">175.009086</td><td class="ca">0.000914</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB34155" target="_blank" class="btn">HMDB34155</a></td><td class="ca">CH4N2S</td><td class="ca">76.009518828</td><td class="ca">2M+Na</td><td class="ca">+</td><td class="ca">175.008256</td><td class="ca">0.001744</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB01570" target="_blank" class="btn">HMDB01570</a></td><td class="ca">C10H13N2O7P</td><td class="ca">304.046037292</td><td class="ca">M+2Na</td><td class="ca">+</td><td class="ca">175.012237</td><td class="ca">0.002237</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB01270" target="_blank" class="btn">HMDB01270</a></td><td class="ca">C3H8O10P2</td><td class="ca">265.9592695</td><td class="ca">M+2ACN+2H</td><td class="ca">+</td><td class="ca">175.013458</td><td class="ca">0.003458</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB01294" target="_blank" class="btn">HMDB01294</a></td><td class="ca">C3H8O10P2</td><td class="ca">265.9592695</td><td class="ca">M+2ACN+2H</td><td class="ca">+</td><td class="ca">175.013458</td><td class="ca">0.003458</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB60394" target="_blank" class="btn">HMDB60394</a></td><td class="ca">C9H12FN2O8P</td><td class="ca">326.031530087</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">175.014012</td><td class="ca">0.004012</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB60015" target="_blank" class="btn">HMDB60015</a></td><td class="ca">C6H6O4S</td><td class="ca">173.99867937</td><td class="ca">M+H</td><td class="ca">+</td><td class="ca">175.005955</td><td class="ca">0.004045</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00021" target="_blank" class="btn">HMDB00021</a></td><td class="ca">C9H10INO3</td><td class="ca">306.970536611</td><td class="ca">M+ACN+2H</td><td class="ca">+</td><td class="ca">175.005818</td><td class="ca">0.004182</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB15167" target="_blank" class="btn">HMDB15167</a></td><td class="ca">C5H4N4S</td><td class="ca">152.015666838</td><td class="ca">M+Na</td><td class="ca">+</td><td class="ca">175.004885</td><td class="ca">0.005115</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB40364" target="_blank" class="btn">HMDB40364</a></td><td class="ca">C3H7MnO6P</td><td class="ca">224.936074104</td><td class="ca">M+3ACN+2H</td><td class="ca">+</td><td class="ca">175.015134</td><td class="ca">0.005134</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB62056" target="_blank" class="btn">HMDB62056</a></td><td class="ca">C6H7O4P</td><td class="ca">174.008195703</td><td class="ca">M+H</td><td class="ca">+</td><td class="ca">175.015472</td><td class="ca">0.005472</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB41485" target="_blank" class="btn">HMDB41485</a></td><td class="ca">C8H8O2</td><td class="ca">136.0524295</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">175.015588</td><td class="ca">0.005588</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00209" target="_blank" class="btn">HMDB00209</a></td><td class="ca">C8H8O2</td><td class="ca">136.0524295</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">175.015588</td><td class="ca">0.005588</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB06853" target="_blank" class="btn">HMDB06853</a></td><td class="ca">C4H4O</td><td class="ca">68.02621475</td><td class="ca">2M+K</td><td class="ca">+</td><td class="ca">175.015588</td><td class="ca">0.005588</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB03767" target="_blank" class="btn">HMDB03767</a></td><td class="ca">C8H8O2</td><td class="ca">136.0524295</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">175.015588</td><td class="ca">0.005588</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB40733" target="_blank" class="btn">HMDB40733</a></td><td class="ca">C8H8O2</td><td class="ca">136.0524295</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">175.015588</td><td class="ca">0.005588</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB38176" target="_blank" class="btn">HMDB38176</a></td><td class="ca">C8H8O2</td><td class="ca">136.0524295</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">175.015588</td><td class="ca">0.005588</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33968" target="_blank" class="btn">HMDB33968</a></td><td class="ca">C8H8O2</td><td class="ca">136.0524295</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">175.015588</td><td class="ca">0.005588</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29635" target="_blank" class="btn">HMDB29635</a></td><td class="ca">C8H8O2</td><td class="ca">136.0524295</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">175.015588</td><td class="ca">0.005588</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33128" target="_blank" class="btn">HMDB33128</a></td><td class="ca">C8H8O2</td><td class="ca">136.0524295</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">175.015588</td><td class="ca">0.005588</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33766" target="_blank" class="btn">HMDB33766</a></td><td class="ca">C8H8O2</td><td class="ca">136.0524295</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">175.015588</td><td class="ca">0.005588</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB40638" target="_blank" class="btn">HMDB40638</a></td><td class="ca">C8H8O2</td><td class="ca">136.0524295</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">175.015588</td><td class="ca">0.005588</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB32568" target="_blank" class="btn">HMDB32568</a></td><td class="ca">C8H8O2</td><td class="ca">136.0524295</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">175.015588</td><td class="ca">0.005588</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29686" target="_blank" class="btn">HMDB29686</a></td><td class="ca">C8H8O2</td><td class="ca">136.0524295</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">175.015588</td><td class="ca">0.005588</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB32603" target="_blank" class="btn">HMDB32603</a></td><td class="ca">C8H8O2</td><td class="ca">136.0524295</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">175.015588</td><td class="ca">0.005588</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB32400" target="_blank" class="btn">HMDB32400</a></td><td class="ca">C8H8O2</td><td class="ca">136.0524295</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">175.015588</td><td class="ca">0.005588</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31459" target="_blank" class="btn">HMDB31459</a></td><td class="ca">C8H8O2</td><td class="ca">136.0524295</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">175.015588</td><td class="ca">0.005588</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB13785" target="_blank" class="btn">HMDB13785</a></td><td class="ca">C4H4O</td><td class="ca">68.02621475</td><td class="ca">2M+K</td><td class="ca">+</td><td class="ca">175.015588</td><td class="ca">0.005588</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB02340" target="_blank" class="btn">HMDB02340</a></td><td class="ca">C8H8O2</td><td class="ca">136.0524295</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">175.015588</td><td class="ca">0.005588</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB14912" target="_blank" class="btn">HMDB14912</a></td><td class="ca">C8H8F3N3O4S2</td><td class="ca">330.990831754</td><td class="ca">M+H+NH4</td><td class="ca">+</td><td class="ca">175.015966</td><td class="ca">0.005966</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB60764" target="_blank" class="btn">HMDB60764</a></td><td class="ca">C16H11ClN4O</td><td class="ca">310.062138701</td><td class="ca">M+H+K</td><td class="ca">+</td><td class="ca">175.016286</td><td class="ca">0.006286</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB40238" target="_blank" class="btn">HMDB40238</a></td><td class="ca">C6H10OS</td><td class="ca">130.045235632</td><td class="ca">M+2Na-H</td><td class="ca">+</td><td class="ca">175.016396</td><td class="ca">0.006396</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31370" target="_blank" class="btn">HMDB31370</a></td><td class="ca">C6H10OS</td><td class="ca">130.045235632</td><td class="ca">M+2Na-H</td><td class="ca">+</td><td class="ca">175.016396</td><td class="ca">0.006396</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB37493" target="_blank" class="btn">HMDB37493</a></td><td class="ca">C6H10OS</td><td class="ca">130.045235632</td><td class="ca">M+2Na-H</td><td class="ca">+</td><td class="ca">175.016396</td><td class="ca">0.006396</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB37787" target="_blank" class="btn">HMDB37787</a></td><td class="ca">C5H10N2</td><td class="ca">98.08439833</td><td class="ca">M+2K+H</td><td class="ca">+</td><td class="ca">175.003438</td><td class="ca">0.006562</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB61807" target="_blank" class="btn">HMDB61807</a></td><td class="ca">C10H9Cl3O2</td><td class="ca">265.966812653</td><td class="ca">M+2ACN+2H</td><td class="ca">+</td><td class="ca">175.017229</td><td class="ca">0.007229</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB59985" target="_blank" class="btn">HMDB59985</a></td><td class="ca">C11H12O8S</td><td class="ca">304.02528805</td><td class="ca">M+2Na</td><td class="ca">+</td><td class="ca">175.001862</td><td class="ca">0.008138</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB59987" target="_blank" class="btn">HMDB59987</a></td><td class="ca">C11H12O8S</td><td class="ca">304.02528805</td><td class="ca">M+2Na</td><td class="ca">+</td><td class="ca">175.001862</td><td class="ca">0.008138</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB60020" target="_blank" class="btn">HMDB60020</a></td><td class="ca">C11H12O8S</td><td class="ca">304.02528805</td><td class="ca">M+2Na</td><td class="ca">+</td><td class="ca">175.001862</td><td class="ca">0.008138</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB14581" target="_blank" class="btn">HMDB14581</a></td><td class="ca">C5H4N4O</td><td class="ca">136.03851077</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">175.001669</td><td class="ca">0.008331</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00157" target="_blank" class="btn">HMDB00157</a></td><td class="ca">C5H4N4O</td><td class="ca">136.03851077</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">175.001669</td><td class="ca">0.008331</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB40631" target="_blank" class="btn">HMDB40631</a></td><td class="ca">C15H12O7</td><td class="ca">304.058302738</td><td class="ca">M+2Na</td><td class="ca">+</td><td class="ca">175.018369</td><td class="ca">0.008369</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31778" target="_blank" class="btn">HMDB31778</a></td><td class="ca">C14H9ClF2N2O2</td><td class="ca">310.032061659</td><td class="ca">M+H+K</td><td class="ca">+</td><td class="ca">175.001248</td><td class="ca">0.008752</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31160" target="_blank" class="btn">HMDB31160</a></td><td class="ca">C5H12S2</td><td class="ca">136.038041764</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">175.0012</td><td class="ca">0.0088</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33053" target="_blank" class="btn">HMDB33053</a></td><td class="ca">C5H12S2</td><td class="ca">136.038041764</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">175.0012</td><td class="ca">0.0088</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33054" target="_blank" class="btn">HMDB33054</a></td><td class="ca">C5H12S2</td><td class="ca">136.038041764</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">175.0012</td><td class="ca">0.0088</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29694" target="_blank" class="btn">HMDB29694</a></td><td class="ca">C8H8OS</td><td class="ca">152.029585568</td><td class="ca">M+Na</td><td class="ca">+</td><td class="ca">175.018804</td><td class="ca">0.008804</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29783" target="_blank" class="btn">HMDB29783</a></td><td class="ca">C14H14O8</td><td class="ca">310.068867424</td><td class="ca">M+H+K</td><td class="ca">+</td><td class="ca">175.019651</td><td class="ca">0.009651</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00613" target="_blank" class="btn">HMDB00613</a></td><td class="ca">C4H8O5</td><td class="ca">136.037173366</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">175.000331</td><td class="ca">0.009669</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00943" target="_blank" class="btn">HMDB00943</a></td><td class="ca">C4H8O5</td><td class="ca">136.037173366</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">175.000331</td><td class="ca">0.009669</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00115" target="_blank" class="btn">HMDB00115</a></td><td class="ca">C2H4O3</td><td class="ca">76.016043994</td><td class="ca">2M+Na</td><td class="ca">+</td><td class="ca">175.021306</td><td class="ca">0.011306</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31608" target="_blank" class="btn">HMDB31608</a></td><td class="ca">C2H4O3</td><td class="ca">76.016043994</td><td class="ca">2M+Na</td><td class="ca">+</td><td class="ca">175.021306</td><td class="ca">0.011306</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB41797" target="_blank" class="btn">HMDB41797</a></td><td class="ca">C8H6Cl2O3</td><td class="ca">219.969399472</td><td class="ca">M+2Na+H</td><td class="ca">+</td><td class="ca">174.998239</td><td class="ca">0.011761</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB15413" target="_blank" class="btn">HMDB15413</a></td><td class="ca">C12H14N4O4S</td><td class="ca">310.073575646</td><td class="ca">M+H+K</td><td class="ca">+</td><td class="ca">175.022005</td><td class="ca">0.012005</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB15621" target="_blank" class="btn">HMDB15621</a></td><td class="ca">C12H14N4O4S</td><td class="ca">310.073575646</td><td class="ca">M+H+K</td><td class="ca">+</td><td class="ca">175.022005</td><td class="ca">0.012005</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31825" target="_blank" class="btn">HMDB31825</a></td><td class="ca">C8H8S</td><td class="ca">136.034670946</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">174.997829</td><td class="ca">0.012171</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31781" target="_blank" class="btn">HMDB31781</a></td><td class="ca">C14H15O2PS2</td><td class="ca">310.025107616</td><td class="ca">M+H+K</td><td class="ca">+</td><td class="ca">174.997771</td><td class="ca">0.012229</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00634" target="_blank" class="btn">HMDB00634</a></td><td class="ca">C5H6O4</td><td class="ca">130.02660868</td><td class="ca">M+2Na-H</td><td class="ca">+</td><td class="ca">174.997769</td><td class="ca">0.012231</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00620" target="_blank" class="btn">HMDB00620</a></td><td class="ca">C5H6O4</td><td class="ca">130.02660868</td><td class="ca">M+2Na-H</td><td class="ca">+</td><td class="ca">174.997769</td><td class="ca">0.012231</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB61185" target="_blank" class="btn">HMDB61185</a></td><td class="ca">C5H6O4</td><td class="ca">130.02660868</td><td class="ca">M+2Na-H</td><td class="ca">+</td><td class="ca">174.997769</td><td class="ca">0.012231</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00749" target="_blank" class="btn">HMDB00749</a></td><td class="ca">C5H6O4</td><td class="ca">130.02660868</td><td class="ca">M+2Na-H</td><td class="ca">+</td><td class="ca">174.997769</td><td class="ca">0.012231</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB02092" target="_blank" class="btn">HMDB02092</a></td><td class="ca">C5H6O4</td><td class="ca">130.02660868</td><td class="ca">M+2Na-H</td><td class="ca">+</td><td class="ca">174.997769</td><td class="ca">0.012231</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33809" target="_blank" class="btn">HMDB33809</a></td><td class="ca">C5H6O4</td><td class="ca">130.02660868</td><td class="ca">M+2Na-H</td><td class="ca">+</td><td class="ca">174.997769</td><td class="ca">0.012231</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB13233" target="_blank" class="btn">HMDB13233</a></td><td class="ca">C5H6O4</td><td class="ca">130.02660868</td><td class="ca">M+2Na-H</td><td class="ca">+</td><td class="ca">174.997769</td><td class="ca">0.012231</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB59743" target="_blank" class="btn">HMDB59743</a></td><td class="ca">C5H6O4</td><td class="ca">130.02660868</td><td class="ca">M+2Na-H</td><td class="ca">+</td><td class="ca">174.997769</td><td class="ca">0.012231</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB60365" target="_blank" class="btn">HMDB60365</a></td><td class="ca">C5H6O4</td><td class="ca">130.02660868</td><td class="ca">M+2Na-H</td><td class="ca">+</td><td class="ca">174.997769</td><td class="ca">0.012231</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB60689" target="_blank" class="btn">HMDB60689</a></td><td class="ca">C4H11Cl2N2O2P</td><td class="ca">219.993519532</td><td class="ca">M+2Na+H</td><td class="ca">+</td><td class="ca">175.02236</td><td class="ca">0.01236</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB60691" target="_blank" class="btn">HMDB60691</a></td><td class="ca">C4H11Cl2N2O2P</td><td class="ca">219.993519532</td><td class="ca">M+2Na+H</td><td class="ca">+</td><td class="ca">175.02236</td><td class="ca">0.01236</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00292" target="_blank" class="btn">HMDB00292</a></td><td class="ca">C5H4N4O2</td><td class="ca">152.033425392</td><td class="ca">M+Na</td><td class="ca">+</td><td class="ca">175.022643</td><td class="ca">0.012643</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00786" target="_blank" class="btn">HMDB00786</a></td><td class="ca">C5H4N4O2</td><td class="ca">152.033425392</td><td class="ca">M+Na</td><td class="ca">+</td><td class="ca">175.022643</td><td class="ca">0.012643</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB01182" target="_blank" class="btn">HMDB01182</a></td><td class="ca">C5H4N4O2</td><td class="ca">152.033425392</td><td class="ca">M+Na</td><td class="ca">+</td><td class="ca">175.022643</td><td class="ca">0.012643</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00072" target="_blank" class="btn">HMDB00072</a></td><td class="ca">C6H6O6</td><td class="ca">174.016437924</td><td class="ca">M+H</td><td class="ca">+</td><td class="ca">175.023714</td><td class="ca">0.013714</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00958" target="_blank" class="btn">HMDB00958</a></td><td class="ca">C6H6O6</td><td class="ca">174.016437924</td><td class="ca">M+H</td><td class="ca">+</td><td class="ca">175.023714</td><td class="ca">0.013714</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB01264" target="_blank" class="btn">HMDB01264</a></td><td class="ca">C6H6O6</td><td class="ca">174.016437924</td><td class="ca">M+H</td><td class="ca">+</td><td class="ca">175.023714</td><td class="ca">0.013714</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB61101" target="_blank" class="btn">HMDB61101</a></td><td class="ca">C11H10BrN5O</td><td class="ca">307.006872614</td><td class="ca">M+ACN+2H</td><td class="ca">+</td><td class="ca">175.023986</td><td class="ca">0.013986</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB01520" target="_blank" class="btn">HMDB01520</a></td><td class="ca">C17H21N4O9P</td><td class="ca">456.104614802</td><td class="ca">M+3Na</td><td class="ca">+</td><td class="ca">175.02409</td><td class="ca">0.01409</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB37945" target="_blank" class="btn">HMDB37945</a></td><td class="ca">C23H20O10</td><td class="ca">456.10564686</td><td class="ca">M+3Na</td><td class="ca">+</td><td class="ca">175.024434</td><td class="ca">0.014434</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB39328" target="_blank" class="btn">HMDB39328</a></td><td class="ca">C23H20O10</td><td class="ca">456.10564686</td><td class="ca">M+3Na</td><td class="ca">+</td><td class="ca">175.024434</td><td class="ca">0.014434</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB40200" target="_blank" class="btn">HMDB40200</a></td><td class="ca">C7H10OS2</td><td class="ca">174.017306322</td><td class="ca">M+H</td><td class="ca">+</td><td class="ca">175.024582</td><td class="ca">0.014582</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29614" target="_blank" class="btn">HMDB29614</a></td><td class="ca">C13H21O2PS2</td><td class="ca">304.072057808</td><td class="ca">M+2Na</td><td class="ca">+</td><td class="ca">175.025247</td><td class="ca">0.015247</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB32909" target="_blank" class="btn">HMDB32909</a></td><td class="ca">C19H12O4</td><td class="ca">304.073558872</td><td class="ca">M+2Na</td><td class="ca">+</td><td class="ca">175.025997</td><td class="ca">0.015997</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB38322" target="_blank" class="btn">HMDB38322</a></td><td class="ca">C19H12O4</td><td class="ca">304.073558872</td><td class="ca">M+2Na</td><td class="ca">+</td><td class="ca">175.025997</td><td class="ca">0.015997</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB41450" target="_blank" class="btn">HMDB41450</a></td><td class="ca">C19H12O4</td><td class="ca">304.073558872</td><td class="ca">M+2Na</td><td class="ca">+</td><td class="ca">175.025997</td><td class="ca">0.015997</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB15176" target="_blank" class="btn">HMDB15176</a></td><td class="ca">C13H18Cl2N2O2</td><td class="ca">304.074533244</td><td class="ca">M+2Na</td><td class="ca">+</td><td class="ca">175.026485</td><td class="ca">0.016485</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB03152" target="_blank" class="btn">HMDB03152</a></td><td class="ca">C7H8N2O</td><td class="ca">136.063662888</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">175.026821</td><td class="ca">0.016821</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33947" target="_blank" class="btn">HMDB33947</a></td><td class="ca">C7H8N2O</td><td class="ca">136.063662888</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">175.026821</td><td class="ca">0.016821</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB37819" target="_blank" class="btn">HMDB37819</a></td><td class="ca">C7H8N2O</td><td class="ca">136.063662888</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">175.026821</td><td class="ca">0.016821</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB30001" target="_blank" class="btn">HMDB30001</a></td><td class="ca">C7H8N2O</td><td class="ca">136.063662888</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">175.026821</td><td class="ca">0.016821</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB59711" target="_blank" class="btn">HMDB59711</a></td><td class="ca">C7H8N2O</td><td class="ca">136.063662888</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">175.026821</td><td class="ca">0.016821</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB40357" target="_blank" class="btn">HMDB40357</a></td><td class="ca">C18H14O5</td><td class="ca">310.084123558</td><td class="ca">M+H+K</td><td class="ca">+</td><td class="ca">175.027279</td><td class="ca">0.017279</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB03315" target="_blank" class="btn">HMDB03315</a></td><td class="ca">C6H10O</td><td class="ca">98.073164942</td><td class="ca">M+2K+H</td><td class="ca">+</td><td class="ca">174.992205</td><td class="ca">0.017795</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31563" target="_blank" class="btn">HMDB31563</a></td><td class="ca">C6H10O</td><td class="ca">98.073164942</td><td class="ca">M+2K+H</td><td class="ca">+</td><td class="ca">174.992205</td><td class="ca">0.017795</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB30332" target="_blank" class="btn">HMDB30332</a></td><td class="ca">C6H10O</td><td class="ca">98.073164942</td><td class="ca">M+2K+H</td><td class="ca">+</td><td class="ca">174.992205</td><td class="ca">0.017795</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31564" target="_blank" class="btn">HMDB31564</a></td><td class="ca">C6H10O</td><td class="ca">98.073164942</td><td class="ca">M+2K+H</td><td class="ca">+</td><td class="ca">174.992205</td><td class="ca">0.017795</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33714" target="_blank" class="btn">HMDB33714</a></td><td class="ca">C6H10O</td><td class="ca">98.073164942</td><td class="ca">M+2K+H</td><td class="ca">+</td><td class="ca">174.992205</td><td class="ca">0.017795</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33549" target="_blank" class="btn">HMDB33549</a></td><td class="ca">C6H10O</td><td class="ca">98.073164942</td><td class="ca">M+2K+H</td><td class="ca">+</td><td class="ca">174.992205</td><td class="ca">0.017795</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31498" target="_blank" class="btn">HMDB31498</a></td><td class="ca">C6H10O</td><td class="ca">98.073164942</td><td class="ca">M+2K+H</td><td class="ca">+</td><td class="ca">174.992205</td><td class="ca">0.017795</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31497" target="_blank" class="btn">HMDB31497</a></td><td class="ca">C6H10O</td><td class="ca">98.073164942</td><td class="ca">M+2K+H</td><td class="ca">+</td><td class="ca">174.992205</td><td class="ca">0.017795</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31196" target="_blank" class="btn">HMDB31196</a></td><td class="ca">C6H10O</td><td class="ca">98.073164942</td><td class="ca">M+2K+H</td><td class="ca">+</td><td class="ca">174.992205</td><td class="ca">0.017795</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31496" target="_blank" class="btn">HMDB31496</a></td><td class="ca">C6H10O</td><td class="ca">98.073164942</td><td class="ca">M+2K+H</td><td class="ca">+</td><td class="ca">174.992205</td><td class="ca">0.017795</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35239" target="_blank" class="btn">HMDB35239</a></td><td class="ca">C6H10O</td><td class="ca">98.073164942</td><td class="ca">M+2K+H</td><td class="ca">+</td><td class="ca">174.992205</td><td class="ca">0.017795</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB40264" target="_blank" class="btn">HMDB40264</a></td><td class="ca">C6H10O</td><td class="ca">98.073164942</td><td class="ca">M+2K+H</td><td class="ca">+</td><td class="ca">174.992205</td><td class="ca">0.017795</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB40271" target="_blank" class="btn">HMDB40271</a></td><td class="ca">C6H10O</td><td class="ca">98.073164942</td><td class="ca">M+2K+H</td><td class="ca">+</td><td class="ca">174.992205</td><td class="ca">0.017795</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB62031" target="_blank" class="btn">HMDB62031</a></td><td class="ca">C6H10O</td><td class="ca">98.073164942</td><td class="ca">M+2K+H</td><td class="ca">+</td><td class="ca">174.992205</td><td class="ca">0.017795</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB62127" target="_blank" class="btn">HMDB62127</a></td><td class="ca">C6H10O</td><td class="ca">98.073164942</td><td class="ca">M+2K+H</td><td class="ca">+</td><td class="ca">174.992205</td><td class="ca">0.017795</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB62136" target="_blank" class="btn">HMDB62136</a></td><td class="ca">C7H14</td><td class="ca">98.109550448</td><td class="ca">M+2K+H</td><td class="ca">+</td><td class="ca">175.02859</td><td class="ca">0.01859</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB61783" target="_blank" class="btn">HMDB61783</a></td><td class="ca">C7H14</td><td class="ca">98.109550448</td><td class="ca">M+2K+H</td><td class="ca">+</td><td class="ca">175.02859</td><td class="ca">0.01859</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB61892" target="_blank" class="btn">HMDB61892</a></td><td class="ca">C7H14</td><td class="ca">98.109550448</td><td class="ca">M+2K+H</td><td class="ca">+</td><td class="ca">175.02859</td><td class="ca">0.01859</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB61893" target="_blank" class="btn">HMDB61893</a></td><td class="ca">C7H14</td><td class="ca">98.109550448</td><td class="ca">M+2K+H</td><td class="ca">+</td><td class="ca">175.02859</td><td class="ca">0.01859</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB61895" target="_blank" class="btn">HMDB61895</a></td><td class="ca">C7H14</td><td class="ca">98.109550448</td><td class="ca">M+2K+H</td><td class="ca">+</td><td class="ca">175.02859</td><td class="ca">0.01859</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB61894" target="_blank" class="btn">HMDB61894</a></td><td class="ca">C7H14</td><td class="ca">98.109550448</td><td class="ca">M+2K+H</td><td class="ca">+</td><td class="ca">175.02859</td><td class="ca">0.01859</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB15679" target="_blank" class="btn">HMDB15679</a></td><td class="ca">C13H8Cl2N2O4</td><td class="ca">325.986112168</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">174.991303</td><td class="ca">0.018697</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB61135" target="_blank" class="btn">HMDB61135</a></td><td class="ca">C16H17ClN2S</td><td class="ca">304.080096951</td><td class="ca">M+2Na</td><td class="ca">+</td><td class="ca">175.029266</td><td class="ca">0.019266</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29199" target="_blank" class="btn">HMDB29199</a></td><td class="ca">C14H14O9</td><td class="ca">326.063782046</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">175.030138</td><td class="ca">0.020138</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB12152" target="_blank" class="btn">HMDB12152</a></td><td class="ca">C9H17O12P</td><td class="ca">348.04576252</td><td class="ca">M+2H</td><td class="ca">+</td><td class="ca">175.030157</td><td class="ca">0.020157</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00175" target="_blank" class="btn">HMDB00175</a></td><td class="ca">C10H13N4O8P</td><td class="ca">348.047099924</td><td class="ca">M+2H</td><td class="ca">+</td><td class="ca">175.030826</td><td class="ca">0.020826</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB11681" target="_blank" class="btn">HMDB11681</a></td><td class="ca">C10H13N4O8P</td><td class="ca">348.047099924</td><td class="ca">M+2H</td><td class="ca">+</td><td class="ca">175.030826</td><td class="ca">0.020826</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB14684" target="_blank" class="btn">HMDB14684</a></td><td class="ca">C4H3FN2O2</td><td class="ca">130.017855555</td><td class="ca">M+2Na-H</td><td class="ca">+</td><td class="ca">174.989016</td><td class="ca">0.020984</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB39638" target="_blank" class="btn">HMDB39638</a></td><td class="ca">C9H6N2S</td><td class="ca">174.025168892</td><td class="ca">M+H</td><td class="ca">+</td><td class="ca">175.032445</td><td class="ca">0.022445</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB60086" target="_blank" class="btn">HMDB60086</a></td><td class="ca">C18H24N4O8S</td><td class="ca">456.131484454</td><td class="ca">M+3Na</td><td class="ca">+</td><td class="ca">175.033046</td><td class="ca">0.023046</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB14649" target="_blank" class="btn">HMDB14649</a></td><td class="ca">C12H9N3O5S</td><td class="ca">307.026291103</td><td class="ca">M+ACN+2H</td><td class="ca">+</td><td class="ca">175.033696</td><td class="ca">0.023696</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00695" target="_blank" class="btn">HMDB00695</a></td><td class="ca">C6H10O3</td><td class="ca">130.062994186</td><td class="ca">M+2Na-H</td><td class="ca">+</td><td class="ca">175.034154</td><td class="ca">0.024154</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00408" target="_blank" class="btn">HMDB00408</a></td><td class="ca">C6H10O3</td><td class="ca">130.062994186</td><td class="ca">M+2Na-H</td><td class="ca">+</td><td class="ca">175.034154</td><td class="ca">0.024154</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00491" target="_blank" class="btn">HMDB00491</a></td><td class="ca">C6H10O3</td><td class="ca">130.062994186</td><td class="ca">M+2Na-H</td><td class="ca">+</td><td class="ca">175.034154</td><td class="ca">0.024154</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB01864" target="_blank" class="btn">HMDB01864</a></td><td class="ca">C6H10O3</td><td class="ca">130.062994186</td><td class="ca">M+2Na-H</td><td class="ca">+</td><td class="ca">175.034154</td><td class="ca">0.024154</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB06024" target="_blank" class="btn">HMDB06024</a></td><td class="ca">C6H10O3</td><td class="ca">130.062994186</td><td class="ca">M+2Na-H</td><td class="ca">+</td><td class="ca">175.034154</td><td class="ca">0.024154</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB10717" target="_blank" class="btn">HMDB10717</a></td><td class="ca">C6H10O3</td><td class="ca">130.062994186</td><td class="ca">M+2Na-H</td><td class="ca">+</td><td class="ca">175.034154</td><td class="ca">0.024154</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33302" target="_blank" class="btn">HMDB33302</a></td><td class="ca">C6H10O3</td><td class="ca">130.062994186</td><td class="ca">M+2Na-H</td><td class="ca">+</td><td class="ca">175.034154</td><td class="ca">0.024154</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33286" target="_blank" class="btn">HMDB33286</a></td><td class="ca">C6H10O3</td><td class="ca">130.062994186</td><td class="ca">M+2Na-H</td><td class="ca">+</td><td class="ca">175.034154</td><td class="ca">0.024154</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31216" target="_blank" class="btn">HMDB31216</a></td><td class="ca">C6H10O3</td><td class="ca">130.062994186</td><td class="ca">M+2Na-H</td><td class="ca">+</td><td class="ca">175.034154</td><td class="ca">0.024154</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31218" target="_blank" class="btn">HMDB31218</a></td><td class="ca">C6H10O3</td><td class="ca">130.062994186</td><td class="ca">M+2Na-H</td><td class="ca">+</td><td class="ca">175.034154</td><td class="ca">0.024154</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33698" target="_blank" class="btn">HMDB33698</a></td><td class="ca">C6H10O3</td><td class="ca">130.062994186</td><td class="ca">M+2Na-H</td><td class="ca">+</td><td class="ca">175.034154</td><td class="ca">0.024154</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31214" target="_blank" class="btn">HMDB31214</a></td><td class="ca">C6H10O3</td><td class="ca">130.062994186</td><td class="ca">M+2Na-H</td><td class="ca">+</td><td class="ca">175.034154</td><td class="ca">0.024154</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB59876" target="_blank" class="btn">HMDB59876</a></td><td class="ca">C6H10O3</td><td class="ca">130.062994186</td><td class="ca">M+2Na-H</td><td class="ca">+</td><td class="ca">175.034154</td><td class="ca">0.024154</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB12882" target="_blank" class="btn">HMDB12882</a></td><td class="ca">C6H10O3</td><td class="ca">130.062994186</td><td class="ca">M+2Na-H</td><td class="ca">+</td><td class="ca">175.034154</td><td class="ca">0.024154</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB61881" target="_blank" class="btn">HMDB61881</a></td><td class="ca">C6H10O3</td><td class="ca">130.062994186</td><td class="ca">M+2Na-H</td><td class="ca">+</td><td class="ca">175.034154</td><td class="ca">0.024154</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB59664" target="_blank" class="btn">HMDB59664</a></td><td class="ca">C4H8O2S2</td><td class="ca">151.99657088</td><td class="ca">M+Na</td><td class="ca">+</td><td class="ca">174.985789</td><td class="ca">0.024211</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31188" target="_blank" class="btn">HMDB31188</a></td><td class="ca">C2H4OS</td><td class="ca">75.99828544</td><td class="ca">2M+Na</td><td class="ca">+</td><td class="ca">174.985789</td><td class="ca">0.024211</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35716" target="_blank" class="btn">HMDB35716</a></td><td class="ca">C4H8O2S2</td><td class="ca">151.99657088</td><td class="ca">M+Na</td><td class="ca">+</td><td class="ca">174.985789</td><td class="ca">0.024211</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33670" target="_blank" class="btn">HMDB33670</a></td><td class="ca">C4H8O2S2</td><td class="ca">151.99657088</td><td class="ca">M+Na</td><td class="ca">+</td><td class="ca">174.985789</td><td class="ca">0.024211</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB01067" target="_blank" class="btn">HMDB01067</a></td><td class="ca">C11H16N2O8</td><td class="ca">304.090665498</td><td class="ca">M+2Na</td><td class="ca">+</td><td class="ca">175.034551</td><td class="ca">0.024551</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB02818" target="_blank" class="btn">HMDB02818</a></td><td class="ca">C4H2N2O4</td><td class="ca">142.001456562</td><td class="ca">M+CH3OH+H</td><td class="ca">+</td><td class="ca">175.034946</td><td class="ca">0.024946</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB38442" target="_blank" class="btn">HMDB38442</a></td><td class="ca">C4H7NS2</td><td class="ca">133.001990609</td><td class="ca">M+ACN+H</td><td class="ca">+</td><td class="ca">175.035814</td><td class="ca">0.025814</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00703" target="_blank" class="btn">HMDB00703</a></td><td class="ca">C8H8O3</td><td class="ca">152.047344122</td><td class="ca">M+Na</td><td class="ca">+</td><td class="ca">175.036562</td><td class="ca">0.026562</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB01101" target="_blank" class="btn">HMDB01101</a></td><td class="ca">C8H8O3</td><td class="ca">152.047344122</td><td class="ca">M+Na</td><td class="ca">+</td><td class="ca">175.036562</td><td class="ca">0.026562</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00020" target="_blank" class="btn">HMDB00020</a></td><td class="ca">C8H8O3</td><td class="ca">152.047344122</td><td class="ca">M+Na</td><td class="ca">+</td><td class="ca">175.036562</td><td class="ca">0.026562</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00440" target="_blank" class="btn">HMDB00440</a></td><td class="ca">C8H8O3</td><td class="ca">152.047344122</td><td class="ca">M+Na</td><td class="ca">+</td><td class="ca">175.036562</td><td class="ca">0.026562</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00669" target="_blank" class="btn">HMDB00669</a></td><td class="ca">C8H8O3</td><td class="ca">152.047344122</td><td class="ca">M+Na</td><td class="ca">+</td><td class="ca">175.036562</td><td class="ca">0.026562</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB02390" target="_blank" class="btn">HMDB02390</a></td><td class="ca">C8H8O3</td><td class="ca">152.047344122</td><td class="ca">M+Na</td><td class="ca">+</td><td class="ca">175.036562</td><td class="ca">0.026562</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB03791" target="_blank" class="btn">HMDB03791</a></td><td class="ca">C8H8O3</td><td class="ca">152.047344122</td><td class="ca">M+Na</td><td class="ca">+</td><td class="ca">175.036562</td><td class="ca">0.026562</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB04815" target="_blank" class="btn">HMDB04815</a></td><td class="ca">C8H8O3</td><td class="ca">152.047344122</td><td class="ca">M+Na</td><td class="ca">+</td><td class="ca">175.036562</td><td class="ca">0.026562</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB12308" target="_blank" class="btn">HMDB12308</a></td><td class="ca">C8H8O3</td><td class="ca">152.047344122</td><td class="ca">M+Na</td><td class="ca">+</td><td class="ca">175.036562</td><td class="ca">0.026562</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB30662" target="_blank" class="btn">HMDB30662</a></td><td class="ca">C16H16O6</td><td class="ca">304.094688244</td><td class="ca">M+2Na</td><td class="ca">+</td><td class="ca">175.036562</td><td class="ca">0.026562</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB41507" target="_blank" class="btn">HMDB41507</a></td><td class="ca">C16H16O6</td><td class="ca">304.094688244</td><td class="ca">M+2Na</td><td class="ca">+</td><td class="ca">175.036562</td><td class="ca">0.026562</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB36907" target="_blank" class="btn">HMDB36907</a></td><td class="ca">C8H8O3</td><td class="ca">152.047344122</td><td class="ca">M+Na</td><td class="ca">+</td><td class="ca">175.036562</td><td class="ca">0.026562</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB32919" target="_blank" class="btn">HMDB32919</a></td><td class="ca">C8H8O3</td><td class="ca">152.047344122</td><td class="ca">M+Na</td><td class="ca">+</td><td class="ca">175.036562</td><td class="ca">0.026562</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB41283" target="_blank" class="btn">HMDB41283</a></td><td class="ca">C8H8O3</td><td class="ca">152.047344122</td><td class="ca">M+Na</td><td class="ca">+</td><td class="ca">175.036562</td><td class="ca">0.026562</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29657" target="_blank" class="btn">HMDB29657</a></td><td class="ca">C8H8O3</td><td class="ca">152.047344122</td><td class="ca">M+Na</td><td class="ca">+</td><td class="ca">175.036562</td><td class="ca">0.026562</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB32606" target="_blank" class="btn">HMDB32606</a></td><td class="ca">C8H8O3</td><td class="ca">152.047344122</td><td class="ca">M+Na</td><td class="ca">+</td><td class="ca">175.036562</td><td class="ca">0.026562</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB34172" target="_blank" class="btn">HMDB34172</a></td><td class="ca">C8H8O3</td><td class="ca">152.047344122</td><td class="ca">M+Na</td><td class="ca">+</td><td class="ca">175.036562</td><td class="ca">0.026562</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB30745" target="_blank" class="btn">HMDB30745</a></td><td class="ca">C16H16O6</td><td class="ca">304.094688244</td><td class="ca">M+2Na</td><td class="ca">+</td><td class="ca">175.036562</td><td class="ca">0.026562</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB32604" target="_blank" class="btn">HMDB32604</a></td><td class="ca">C8H8O3</td><td class="ca">152.047344122</td><td class="ca">M+Na</td><td class="ca">+</td><td class="ca">175.036562</td><td class="ca">0.026562</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29661" target="_blank" class="btn">HMDB29661</a></td><td class="ca">C8H8O3</td><td class="ca">152.047344122</td><td class="ca">M+Na</td><td class="ca">+</td><td class="ca">175.036562</td><td class="ca">0.026562</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29662" target="_blank" class="btn">HMDB29662</a></td><td class="ca">C8H8O3</td><td class="ca">152.047344122</td><td class="ca">M+Na</td><td class="ca">+</td><td class="ca">175.036562</td><td class="ca">0.026562</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB32572" target="_blank" class="btn">HMDB32572</a></td><td class="ca">C8H8O3</td><td class="ca">152.047344122</td><td class="ca">M+Na</td><td class="ca">+</td><td class="ca">175.036562</td><td class="ca">0.026562</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB32629" target="_blank" class="btn">HMDB32629</a></td><td class="ca">C8H8O3</td><td class="ca">152.047344122</td><td class="ca">M+Na</td><td class="ca">+</td><td class="ca">175.036562</td><td class="ca">0.026562</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33003" target="_blank" class="btn">HMDB33003</a></td><td class="ca">C8H8O3</td><td class="ca">152.047344122</td><td class="ca">M+Na</td><td class="ca">+</td><td class="ca">175.036562</td><td class="ca">0.026562</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB41294" target="_blank" class="btn">HMDB41294</a></td><td class="ca">C16H16O6</td><td class="ca">304.094688244</td><td class="ca">M+2Na</td><td class="ca">+</td><td class="ca">175.036562</td><td class="ca">0.026562</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB32594" target="_blank" class="btn">HMDB32594</a></td><td class="ca">C8H8O3</td><td class="ca">152.047344122</td><td class="ca">M+Na</td><td class="ca">+</td><td class="ca">175.036562</td><td class="ca">0.026562</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31609" target="_blank" class="btn">HMDB31609</a></td><td class="ca">C8H8O3</td><td class="ca">152.047344122</td><td class="ca">M+Na</td><td class="ca">+</td><td class="ca">175.036562</td><td class="ca">0.026562</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29658" target="_blank" class="btn">HMDB29658</a></td><td class="ca">C8H8O3</td><td class="ca">152.047344122</td><td class="ca">M+Na</td><td class="ca">+</td><td class="ca">175.036562</td><td class="ca">0.026562</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29659" target="_blank" class="btn">HMDB29659</a></td><td class="ca">C8H8O3</td><td class="ca">152.047344122</td><td class="ca">M+Na</td><td class="ca">+</td><td class="ca">175.036562</td><td class="ca">0.026562</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33866" target="_blank" class="btn">HMDB33866</a></td><td class="ca">C16H16O6</td><td class="ca">304.094688244</td><td class="ca">M+2Na</td><td class="ca">+</td><td class="ca">175.036562</td><td class="ca">0.026562</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29660" target="_blank" class="btn">HMDB29660</a></td><td class="ca">C8H8O3</td><td class="ca">152.047344122</td><td class="ca">M+Na</td><td class="ca">+</td><td class="ca">175.036562</td><td class="ca">0.026562</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB32399" target="_blank" class="btn">HMDB32399</a></td><td class="ca">C8H8O3</td><td class="ca">152.047344122</td><td class="ca">M+Na</td><td class="ca">+</td><td class="ca">175.036562</td><td class="ca">0.026562</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB38519" target="_blank" class="btn">HMDB38519</a></td><td class="ca">C16H16O6</td><td class="ca">304.094688244</td><td class="ca">M+2Na</td><td class="ca">+</td><td class="ca">175.036562</td><td class="ca">0.026562</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29179" target="_blank" class="btn">HMDB29179</a></td><td class="ca">C16H16O6</td><td class="ca">304.094688244</td><td class="ca">M+2Na</td><td class="ca">+</td><td class="ca">175.036562</td><td class="ca">0.026562</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29175" target="_blank" class="btn">HMDB29175</a></td><td class="ca">C16H16O6</td><td class="ca">304.094688244</td><td class="ca">M+2Na</td><td class="ca">+</td><td class="ca">175.036562</td><td class="ca">0.026562</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29228" target="_blank" class="btn">HMDB29228</a></td><td class="ca">C16H16O6</td><td class="ca">304.094688244</td><td class="ca">M+2Na</td><td class="ca">+</td><td class="ca">175.036562</td><td class="ca">0.026562</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29231" target="_blank" class="btn">HMDB29231</a></td><td class="ca">C16H16O6</td><td class="ca">304.094688244</td><td class="ca">M+2Na</td><td class="ca">+</td><td class="ca">175.036562</td><td class="ca">0.026562</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB60390" target="_blank" class="btn">HMDB60390</a></td><td class="ca">C8H8O3</td><td class="ca">152.047344122</td><td class="ca">M+Na</td><td class="ca">+</td><td class="ca">175.036562</td><td class="ca">0.026562</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB62005" target="_blank" class="btn">HMDB62005</a></td><td class="ca">C8H8O3</td><td class="ca">152.047344118</td><td class="ca">M+Na</td><td class="ca">+</td><td class="ca">175.036562</td><td class="ca">0.026562</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB11659" target="_blank" class="btn">HMDB11659</a></td><td class="ca">C5H12O4</td><td class="ca">136.073558872</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">175.036717</td><td class="ca">0.026717</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33919" target="_blank" class="btn">HMDB33919</a></td><td class="ca">C5H12O4</td><td class="ca">136.073558872</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">175.036717</td><td class="ca">0.026717</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31201" target="_blank" class="btn">HMDB31201</a></td><td class="ca">C5H12O4</td><td class="ca">136.073558872</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">175.036717</td><td class="ca">0.026717</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB14805" target="_blank" class="btn">HMDB14805</a></td><td class="ca">C5H15N3O8P2</td><td class="ca">307.033437495</td><td class="ca">M+ACN+2H</td><td class="ca">+</td><td class="ca">175.037269</td><td class="ca">0.027269</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00973" target="_blank" class="btn">HMDB00973</a></td><td class="ca">HO4P</td><td class="ca">95.961245032</td><td class="ca">M+DMSO+H</td><td class="ca">+</td><td class="ca">174.982465</td><td class="ca">0.027535</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB36343" target="_blank" class="btn">HMDB36343</a></td><td class="ca">C18H14O6</td><td class="ca">326.07903818</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">175.037766</td><td class="ca">0.027766</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33100" target="_blank" class="btn">HMDB33100</a></td><td class="ca">C18H14O6</td><td class="ca">326.07903818</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">175.037766</td><td class="ca">0.027766</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB37570" target="_blank" class="btn">HMDB37570</a></td><td class="ca">C18H14O6</td><td class="ca">326.07903818</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">175.037766</td><td class="ca">0.027766</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB30590" target="_blank" class="btn">HMDB30590</a></td><td class="ca">C18H14O6</td><td class="ca">326.07903818</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">175.037766</td><td class="ca">0.027766</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35880" target="_blank" class="btn">HMDB35880</a></td><td class="ca">C15H18O7</td><td class="ca">310.10525293</td><td class="ca">M+H+K</td><td class="ca">+</td><td class="ca">175.037843</td><td class="ca">0.027843</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB30293" target="_blank" class="btn">HMDB30293</a></td><td class="ca">C15H18O7</td><td class="ca">310.10525293</td><td class="ca">M+H+K</td><td class="ca">+</td><td class="ca">175.037843</td><td class="ca">0.027843</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB39958" target="_blank" class="btn">HMDB39958</a></td><td class="ca">C15H18O7</td><td class="ca">310.10525293</td><td class="ca">M+H+K</td><td class="ca">+</td><td class="ca">175.037843</td><td class="ca">0.027843</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB01216" target="_blank" class="btn">HMDB01216</a></td><td class="ca">C6H8N4</td><td class="ca">136.074896276</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">175.038054</td><td class="ca">0.028054</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB01525" target="_blank" class="btn">HMDB01525</a></td><td class="ca">C3H4N2</td><td class="ca">68.037448138</td><td class="ca">2M+K</td><td class="ca">+</td><td class="ca">175.038054</td><td class="ca">0.028054</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB30577" target="_blank" class="btn">HMDB30577</a></td><td class="ca">C10H6O3</td><td class="ca">174.031694058</td><td class="ca">M+H</td><td class="ca">+</td><td class="ca">175.03897</td><td class="ca">0.02897</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB30773" target="_blank" class="btn">HMDB30773</a></td><td class="ca">C10H6O3</td><td class="ca">174.031694058</td><td class="ca">M+H</td><td class="ca">+</td><td class="ca">175.03897</td><td class="ca">0.02897</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB59586" target="_blank" class="btn">HMDB59586</a></td><td class="ca">C8HF17O3S</td><td class="ca">499.937494073</td><td class="ca">M+2H+Na</td><td class="ca">+</td><td class="ca">174.980421</td><td class="ca">0.029579</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB32943" target="_blank" class="btn">HMDB32943</a></td><td class="ca">C12H21N2O3PS</td><td class="ca">304.10104975</td><td class="ca">M+2Na</td><td class="ca">+</td><td class="ca">175.039743</td><td class="ca">0.029743</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33548" target="_blank" class="btn">HMDB33548</a></td><td class="ca">C5H6O2S</td><td class="ca">130.008850126</td><td class="ca">M+2Na-H</td><td class="ca">+</td><td class="ca">174.98001</td><td class="ca">0.02999</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB34073" target="_blank" class="btn">HMDB34073</a></td><td class="ca">C10H16N4O7</td><td class="ca">304.101898886</td><td class="ca">M+2Na</td><td class="ca">+</td><td class="ca">175.040167</td><td class="ca">0.030167</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB39723" target="_blank" class="btn">HMDB39723</a></td><td class="ca">C11H18O11</td><td class="ca">326.084911418</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">175.040703</td><td class="ca">0.030703</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB40737" target="_blank" class="btn">HMDB40737</a></td><td class="ca">C11H18O11</td><td class="ca">326.084911418</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">175.040703</td><td class="ca">0.030703</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB60455" target="_blank" class="btn">HMDB60455</a></td><td class="ca">C6H3ClO4</td><td class="ca">173.971986291</td><td class="ca">M+H</td><td class="ca">+</td><td class="ca">174.979262</td><td class="ca">0.030738</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB38263" target="_blank" class="btn">HMDB38263</a></td><td class="ca">C23H22O14</td><td class="ca">522.100955412</td><td class="ca">M+3H</td><td class="ca">+</td><td class="ca">175.040928</td><td class="ca">0.030928</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB37457" target="_blank" class="btn">HMDB37457</a></td><td class="ca">C23H22O14</td><td class="ca">522.100955412</td><td class="ca">M+3H</td><td class="ca">+</td><td class="ca">175.040928</td><td class="ca">0.030928</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35462" target="_blank" class="btn">HMDB35462</a></td><td class="ca">C23H22O14</td><td class="ca">522.100955412</td><td class="ca">M+3H</td><td class="ca">+</td><td class="ca">175.040928</td><td class="ca">0.030928</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB38262" target="_blank" class="btn">HMDB38262</a></td><td class="ca">C23H22O14</td><td class="ca">522.100955412</td><td class="ca">M+3H</td><td class="ca">+</td><td class="ca">175.040928</td><td class="ca">0.030928</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB12916" target="_blank" class="btn">HMDB12916</a></td><td class="ca">CH2NO2S</td><td class="ca">91.980624003</td><td class="ca">M+2ACN+H</td><td class="ca">+</td><td class="ca">175.040994</td><td class="ca">0.030994</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB11688" target="_blank" class="btn">HMDB11688</a></td><td class="ca">C5H12O11P2</td><td class="ca">309.98548425</td><td class="ca">M+H+K</td><td class="ca">+</td><td class="ca">174.977959</td><td class="ca">0.032041</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB38665" target="_blank" class="btn">HMDB38665</a></td><td class="ca">C15H16N2O5</td><td class="ca">304.105921632</td><td class="ca">M+2Na</td><td class="ca">+</td><td class="ca">175.042179</td><td class="ca">0.032179</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB61312" target="_blank" class="btn">HMDB61312</a></td><td class="ca">C15H14ClNO2S</td><td class="ca">307.043377094</td><td class="ca">M+ACN+2H</td><td class="ca">+</td><td class="ca">175.042239</td><td class="ca">0.032239</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB37731" target="_blank" class="btn">HMDB37731</a></td><td class="ca">C6H6O2S</td><td class="ca">142.008850126</td><td class="ca">M+CH3OH+H</td><td class="ca">+</td><td class="ca">175.042339</td><td class="ca">0.032339</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB37762" target="_blank" class="btn">HMDB37762</a></td><td class="ca">C6H6O2S</td><td class="ca">142.008850126</td><td class="ca">M+CH3OH+H</td><td class="ca">+</td><td class="ca">175.042339</td><td class="ca">0.032339</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29719" target="_blank" class="btn">HMDB29719</a></td><td class="ca">C6H6O2S</td><td class="ca">142.008850126</td><td class="ca">M+CH3OH+H</td><td class="ca">+</td><td class="ca">175.042339</td><td class="ca">0.032339</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB60503" target="_blank" class="btn">HMDB60503</a></td><td class="ca">C5H4O2</td><td class="ca">96.021129372</td><td class="ca">M+DMSO+H</td><td class="ca">+</td><td class="ca">175.042349</td><td class="ca">0.032349</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB32914" target="_blank" class="btn">HMDB32914</a></td><td class="ca">C5H4O2</td><td class="ca">96.021129372</td><td class="ca">M+DMSO+H</td><td class="ca">+</td><td class="ca">175.042349</td><td class="ca">0.032349</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB62029" target="_blank" class="btn">HMDB62029</a></td><td class="ca">C5H4O2</td><td class="ca">96.021129369</td><td class="ca">M+DMSO+H</td><td class="ca">+</td><td class="ca">175.042349</td><td class="ca">0.032349</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB01059" target="_blank" class="btn">HMDB01059</a></td><td class="ca">C6H16O18P4</td><td class="ca">499.928709756</td><td class="ca">M+2H+Na</td><td class="ca">+</td><td class="ca">174.977493</td><td class="ca">0.032507</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB01187" target="_blank" class="btn">HMDB01187</a></td><td class="ca">C6H16O18P4</td><td class="ca">499.928709756</td><td class="ca">M+2H+Na</td><td class="ca">+</td><td class="ca">174.977493</td><td class="ca">0.032507</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB03848" target="_blank" class="btn">HMDB03848</a></td><td class="ca">C6H16O18P4</td><td class="ca">499.928709756</td><td class="ca">M+2H+Na</td><td class="ca">+</td><td class="ca">174.977493</td><td class="ca">0.032507</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB04527" target="_blank" class="btn">HMDB04527</a></td><td class="ca">C6H16O18P4</td><td class="ca">499.928709756</td><td class="ca">M+2H+Na</td><td class="ca">+</td><td class="ca">174.977493</td><td class="ca">0.032507</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB11741" target="_blank" class="btn">HMDB11741</a></td><td class="ca">C14H18N2O6</td><td class="ca">310.116486318</td><td class="ca">M+H+K</td><td class="ca">+</td><td class="ca">175.04346</td><td class="ca">0.03346</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB15140" target="_blank" class="btn">HMDB15140</a></td><td class="ca">CH4N2O2</td><td class="ca">76.027277382</td><td class="ca">2M+Na</td><td class="ca">+</td><td class="ca">175.043773</td><td class="ca">0.033773</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB34833" target="_blank" class="btn">HMDB34833</a></td><td class="ca">H8N2S</td><td class="ca">68.040818956</td><td class="ca">2M+K</td><td class="ca">+</td><td class="ca">175.044796</td><td class="ca">0.034796</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33956" target="_blank" class="btn">HMDB33956</a></td><td class="ca">C4H7Cl2O4P</td><td class="ca">219.945900638</td><td class="ca">M+2Na+H</td><td class="ca">+</td><td class="ca">174.974741</td><td class="ca">0.035259</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29396" target="_blank" class="btn">HMDB29396</a></td><td class="ca">C5H10N2O2</td><td class="ca">130.074227574</td><td class="ca">M+2Na-H</td><td class="ca">+</td><td class="ca">175.045388</td><td class="ca">0.035388</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB30405" target="_blank" class="btn">HMDB30405</a></td><td class="ca">C5H10N2O2</td><td class="ca">130.074227574</td><td class="ca">M+2Na-H</td><td class="ca">+</td><td class="ca">175.045388</td><td class="ca">0.035388</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB36635" target="_blank" class="btn">HMDB36635</a></td><td class="ca">C19H18O4</td><td class="ca">310.120509064</td><td class="ca">M+H+K</td><td class="ca">+</td><td class="ca">175.045472</td><td class="ca">0.035472</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB41298" target="_blank" class="btn">HMDB41298</a></td><td class="ca">C19H18O4</td><td class="ca">310.120509064</td><td class="ca">M+H+K</td><td class="ca">+</td><td class="ca">175.045472</td><td class="ca">0.035472</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33310" target="_blank" class="btn">HMDB33310</a></td><td class="ca">C19H18O4</td><td class="ca">310.120509064</td><td class="ca">M+H+K</td><td class="ca">+</td><td class="ca">175.045472</td><td class="ca">0.035472</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31744" target="_blank" class="btn">HMDB31744</a></td><td class="ca">C19H18O4</td><td class="ca">310.120509064</td><td class="ca">M+H+K</td><td class="ca">+</td><td class="ca">175.045472</td><td class="ca">0.035472</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00839" target="_blank" class="btn">HMDB00839</a></td><td class="ca">C20H14N4</td><td class="ca">310.121846468</td><td class="ca">M+H+K</td><td class="ca">+</td><td class="ca">175.04614</td><td class="ca">0.03614</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB39926" target="_blank" class="btn">HMDB39926</a></td><td class="ca">C22H28O11S</td><td class="ca">500.135232428</td><td class="ca">M+2H+Na</td><td class="ca">+</td><td class="ca">175.046334</td><td class="ca">0.036334</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB01448" target="_blank" class="btn">HMDB01448</a></td><td class="ca">O4S</td><td class="ca">95.951729178</td><td class="ca">M+DMSO+H</td><td class="ca">+</td><td class="ca">174.972949</td><td class="ca">0.037051</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB15102" target="_blank" class="btn">HMDB15102</a></td><td class="ca">C19H19ClN2</td><td class="ca">310.123676325</td><td class="ca">M+H+K</td><td class="ca">+</td><td class="ca">175.047055</td><td class="ca">0.037055</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB04230" target="_blank" class="btn">HMDB04230</a></td><td class="ca">C5H5NO2</td><td class="ca">111.032028409</td><td class="ca">M+ACN+Na</td><td class="ca">+</td><td class="ca">175.047793</td><td class="ca">0.037793</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB38175" target="_blank" class="btn">HMDB38175</a></td><td class="ca">C5H5NO2</td><td class="ca">111.032028409</td><td class="ca">M+ACN+Na</td><td class="ca">+</td><td class="ca">175.047793</td><td class="ca">0.037793</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB04194" target="_blank" class="btn">HMDB04194</a></td><td class="ca">C7H8N2O2</td><td class="ca">152.05857751</td><td class="ca">M+Na</td><td class="ca">+</td><td class="ca">175.047796</td><td class="ca">0.037796</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB04193" target="_blank" class="btn">HMDB04193</a></td><td class="ca">C7H8N2O2</td><td class="ca">152.05857751</td><td class="ca">M+Na</td><td class="ca">+</td><td class="ca">175.047796</td><td class="ca">0.037796</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33581" target="_blank" class="btn">HMDB33581</a></td><td class="ca">C15H18O8</td><td class="ca">326.100167552</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">175.048331</td><td class="ca">0.038331</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB39509" target="_blank" class="btn">HMDB39509</a></td><td class="ca">C15H18O8</td><td class="ca">326.100167552</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">175.048331</td><td class="ca">0.038331</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB39167" target="_blank" class="btn">HMDB39167</a></td><td class="ca">C15H18O8</td><td class="ca">326.100167552</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">175.048331</td><td class="ca">0.038331</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB39169" target="_blank" class="btn">HMDB39169</a></td><td class="ca">C15H18O8</td><td class="ca">326.100167552</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">175.048331</td><td class="ca">0.038331</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB36936" target="_blank" class="btn">HMDB36936</a></td><td class="ca">C15H18O8</td><td class="ca">326.100167552</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">175.048331</td><td class="ca">0.038331</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB36735" target="_blank" class="btn">HMDB36735</a></td><td class="ca">C15H18O8</td><td class="ca">326.100167552</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">175.048331</td><td class="ca">0.038331</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB60077" target="_blank" class="btn">HMDB60077</a></td><td class="ca">C15H18O8</td><td class="ca">326.100167552</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">175.048331</td><td class="ca">0.038331</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB36981" target="_blank" class="btn">HMDB36981</a></td><td class="ca">C25H28O8</td><td class="ca">456.178417872</td><td class="ca">M+3Na</td><td class="ca">+</td><td class="ca">175.048691</td><td class="ca">0.038691</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB01202" target="_blank" class="btn">HMDB01202</a></td><td class="ca">C9H14N3O7P</td><td class="ca">307.056936329</td><td class="ca">M+ACN+2H</td><td class="ca">+</td><td class="ca">175.049018</td><td class="ca">0.039018</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB60488" target="_blank" class="btn">HMDB60488</a></td><td class="ca">CH4Se</td><td class="ca">95.947821956</td><td class="ca">M+DMSO+H</td><td class="ca">+</td><td class="ca">174.969042</td><td class="ca">0.040958</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB30879" target="_blank" class="btn">HMDB30879</a></td><td class="ca">C2H6SSe</td><td class="ca">141.93554271</td><td class="ca">M+CH3OH+H</td><td class="ca">+</td><td class="ca">174.969032</td><td class="ca">0.040968</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB03638" target="_blank" class="btn">HMDB03638</a></td><td class="ca">Cd</td><td class="ca">113.903358121</td><td class="ca">M+IsoProp+H</td><td class="ca">+</td><td class="ca">174.968698</td><td class="ca">0.041302</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB14694" target="_blank" class="btn">HMDB14694</a></td><td class="ca">C15H13N3O4S</td><td class="ca">331.062676609</td><td class="ca">M+H+NH4</td><td class="ca">+</td><td class="ca">175.051888</td><td class="ca">0.041888</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB34416" target="_blank" class="btn">HMDB34416</a></td><td class="ca">C4H8S3</td><td class="ca">151.978812326</td><td class="ca">M+Na</td><td class="ca">+</td><td class="ca">174.96803</td><td class="ca">0.04197</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB37290" target="_blank" class="btn">HMDB37290</a></td><td class="ca">C4H8S3</td><td class="ca">151.978812326</td><td class="ca">M+Na</td><td class="ca">+</td><td class="ca">174.96803</td><td class="ca">0.04197</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31470" target="_blank" class="btn">HMDB31470</a></td><td class="ca">C4H8S3</td><td class="ca">151.978812326</td><td class="ca">M+Na</td><td class="ca">+</td><td class="ca">174.96803</td><td class="ca">0.04197</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31628" target="_blank" class="btn">HMDB31628</a></td><td class="ca">C9H12O</td><td class="ca">136.088815006</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">175.051973</td><td class="ca">0.041973</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB34378" target="_blank" class="btn">HMDB34378</a></td><td class="ca">C9H12O</td><td class="ca">136.088815006</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">175.051973</td><td class="ca">0.041973</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31627" target="_blank" class="btn">HMDB31627</a></td><td class="ca">C9H12O</td><td class="ca">136.088815006</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">175.051973</td><td class="ca">0.041973</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33962" target="_blank" class="btn">HMDB33962</a></td><td class="ca">C9H12O</td><td class="ca">136.088815006</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">175.051973</td><td class="ca">0.041973</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31312" target="_blank" class="btn">HMDB31312</a></td><td class="ca">C9H12O</td><td class="ca">136.088815006</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">175.051973</td><td class="ca">0.041973</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB38985" target="_blank" class="btn">HMDB38985</a></td><td class="ca">C9H12O</td><td class="ca">136.088815006</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">175.051973</td><td class="ca">0.041973</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB32621" target="_blank" class="btn">HMDB32621</a></td><td class="ca">C9H12O</td><td class="ca">136.088815006</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">175.051973</td><td class="ca">0.041973</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB38988" target="_blank" class="btn">HMDB38988</a></td><td class="ca">C9H12O</td><td class="ca">136.088815006</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">175.051973</td><td class="ca">0.041973</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB32624" target="_blank" class="btn">HMDB32624</a></td><td class="ca">C9H12O</td><td class="ca">136.088815006</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">175.051973</td><td class="ca">0.041973</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB38986" target="_blank" class="btn">HMDB38986</a></td><td class="ca">C9H12O</td><td class="ca">136.088815006</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">175.051973</td><td class="ca">0.041973</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB39782" target="_blank" class="btn">HMDB39782</a></td><td class="ca">C9H12O</td><td class="ca">136.088815006</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">175.051973</td><td class="ca">0.041973</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29667" target="_blank" class="btn">HMDB29667</a></td><td class="ca">C9H12O</td><td class="ca">136.088815006</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">175.051973</td><td class="ca">0.041973</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB32625" target="_blank" class="btn">HMDB32625</a></td><td class="ca">C9H12O</td><td class="ca">136.088815006</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">175.051973</td><td class="ca">0.041973</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB32149" target="_blank" class="btn">HMDB32149</a></td><td class="ca">C9H12O</td><td class="ca">136.088815006</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">175.051973</td><td class="ca">0.041973</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB32029" target="_blank" class="btn">HMDB32029</a></td><td class="ca">C9H12O</td><td class="ca">136.088815006</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">175.051973</td><td class="ca">0.041973</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB38987" target="_blank" class="btn">HMDB38987</a></td><td class="ca">C9H12O</td><td class="ca">136.088815006</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">175.051973</td><td class="ca">0.041973</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB38984" target="_blank" class="btn">HMDB38984</a></td><td class="ca">C9H12O</td><td class="ca">136.088815006</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">175.051973</td><td class="ca">0.041973</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB32544" target="_blank" class="btn">HMDB32544</a></td><td class="ca">C9H12O</td><td class="ca">136.088815006</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">175.051973</td><td class="ca">0.041973</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31446" target="_blank" class="btn">HMDB31446</a></td><td class="ca">C9H12O</td><td class="ca">136.088815006</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">175.051973</td><td class="ca">0.041973</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB32441" target="_blank" class="btn">HMDB32441</a></td><td class="ca">C9H12O</td><td class="ca">136.088815006</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">175.051973</td><td class="ca">0.041973</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB59896" target="_blank" class="btn">HMDB59896</a></td><td class="ca">C9H12O</td><td class="ca">136.088815006</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">175.051973</td><td class="ca">0.041973</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB34894" target="_blank" class="btn">HMDB34894</a></td><td class="ca">C12H20N2O7</td><td class="ca">304.127051004</td><td class="ca">M+2Na</td><td class="ca">+</td><td class="ca">175.052744</td><td class="ca">0.042744</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB38696" target="_blank" class="btn">HMDB38696</a></td><td class="ca">C12H20N2O7</td><td class="ca">304.127051004</td><td class="ca">M+2Na</td><td class="ca">+</td><td class="ca">175.052744</td><td class="ca">0.042744</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33909" target="_blank" class="btn">HMDB33909</a></td><td class="ca">C12H20N2O7</td><td class="ca">304.127051004</td><td class="ca">M+2Na</td><td class="ca">+</td><td class="ca">175.052744</td><td class="ca">0.042744</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31537" target="_blank" class="btn">HMDB31537</a></td><td class="ca">C7H14S</td><td class="ca">130.081621138</td><td class="ca">M+2Na-H</td><td class="ca">+</td><td class="ca">175.052781</td><td class="ca">0.042781</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB02332" target="_blank" class="btn">HMDB02332</a></td><td class="ca">C3H4O5S</td><td class="ca">151.977943928</td><td class="ca">M+Na</td><td class="ca">+</td><td class="ca">174.967162</td><td class="ca">0.042838</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB60768" target="_blank" class="btn">HMDB60768</a></td><td class="ca">C4H6N2O</td><td class="ca">98.048012824</td><td class="ca">M+2K+H</td><td class="ca">+</td><td class="ca">174.967053</td><td class="ca">0.042947</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB37336" target="_blank" class="btn">HMDB37336</a></td><td class="ca">C24H26O13</td><td class="ca">522.137340918</td><td class="ca">M+3H</td><td class="ca">+</td><td class="ca">175.053056</td><td class="ca">0.043056</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33705" target="_blank" class="btn">HMDB33705</a></td><td class="ca">C24H26O13</td><td class="ca">522.137340918</td><td class="ca">M+3H</td><td class="ca">+</td><td class="ca">175.053056</td><td class="ca">0.043056</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB62164" target="_blank" class="btn">HMDB62164</a></td><td class="ca">C4H7NO2S</td><td class="ca">133.019749643</td><td class="ca">M+ACN+H</td><td class="ca">+</td><td class="ca">175.053573</td><td class="ca">0.043573</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB12236" target="_blank" class="btn">HMDB12236</a></td><td class="ca">C6H9N2O5P</td><td class="ca">220.02490792</td><td class="ca">M+2Na+H</td><td class="ca">+</td><td class="ca">175.053748</td><td class="ca">0.043748</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB39123" target="_blank" class="btn">HMDB39123</a></td><td class="ca">C14H18N2O7</td><td class="ca">326.11140094</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">175.053947</td><td class="ca">0.043947</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB14843" target="_blank" class="btn">HMDB14843</a></td><td class="ca">C22H28N6O3S</td><td class="ca">456.194359482</td><td class="ca">M+3Na</td><td class="ca">+</td><td class="ca">175.054004</td><td class="ca">0.044004</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB39777" target="_blank" class="btn">HMDB39777</a></td><td class="ca">C28H24N2O7</td><td class="ca">500.158351132</td><td class="ca">M+2H+Na</td><td class="ca">+</td><td class="ca">175.05404</td><td class="ca">0.04404</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00905" target="_blank" class="btn">HMDB00905</a></td><td class="ca">C10H14N5O6P</td><td class="ca">331.068169717</td><td class="ca">M+H+NH4</td><td class="ca">+</td><td class="ca">175.054635</td><td class="ca">0.044635</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB37494" target="_blank" class="btn">HMDB37494</a></td><td class="ca">C17H20O5</td><td class="ca">304.13107375</td><td class="ca">M+2Na</td><td class="ca">+</td><td class="ca">175.054755</td><td class="ca">0.044755</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35790" target="_blank" class="btn">HMDB35790</a></td><td class="ca">C17H20O5</td><td class="ca">304.13107375</td><td class="ca">M+2Na</td><td class="ca">+</td><td class="ca">175.054755</td><td class="ca">0.044755</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29305" target="_blank" class="btn">HMDB29305</a></td><td class="ca">C17H20O5</td><td class="ca">304.13107375</td><td class="ca">M+2Na</td><td class="ca">+</td><td class="ca">175.054755</td><td class="ca">0.044755</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB32956" target="_blank" class="btn">HMDB32956</a></td><td class="ca">C12H10O7</td><td class="ca">266.042652674</td><td class="ca">M+2ACN+2H</td><td class="ca">+</td><td class="ca">175.055149</td><td class="ca">0.045149</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB32746" target="_blank" class="btn">HMDB32746</a></td><td class="ca">C4H8OS2</td><td class="ca">136.001656258</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">174.964814</td><td class="ca">0.045186</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB32747" target="_blank" class="btn">HMDB32747</a></td><td class="ca">C4H8OS2</td><td class="ca">136.001656258</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">174.964814</td><td class="ca">0.045186</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB32744" target="_blank" class="btn">HMDB32744</a></td><td class="ca">C4H8OS2</td><td class="ca">136.001656258</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">174.964814</td><td class="ca">0.045186</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB32745" target="_blank" class="btn">HMDB32745</a></td><td class="ca">C4H8OS2</td><td class="ca">136.001656258</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">174.964814</td><td class="ca">0.045186</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB34015" target="_blank" class="btn">HMDB34015</a></td><td class="ca">C19H18O5</td><td class="ca">326.115423686</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">175.055959</td><td class="ca">0.045959</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB30606" target="_blank" class="btn">HMDB30606</a></td><td class="ca">C19H18O5</td><td class="ca">326.115423686</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">175.055959</td><td class="ca">0.045959</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB30605" target="_blank" class="btn">HMDB30605</a></td><td class="ca">C19H18O5</td><td class="ca">326.115423686</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">175.055959</td><td class="ca">0.045959</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB40315" target="_blank" class="btn">HMDB40315</a></td><td class="ca">C19H18O5</td><td class="ca">326.115423686</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">175.055959</td><td class="ca">0.045959</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB40313" target="_blank" class="btn">HMDB40313</a></td><td class="ca">C19H18O5</td><td class="ca">326.115423686</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">175.055959</td><td class="ca">0.045959</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB41299" target="_blank" class="btn">HMDB41299</a></td><td class="ca">C19H18O5</td><td class="ca">326.115423686</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">175.055959</td><td class="ca">0.045959</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB40930" target="_blank" class="btn">HMDB40930</a></td><td class="ca">C19H18O5</td><td class="ca">326.115423686</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">175.055959</td><td class="ca">0.045959</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB34279" target="_blank" class="btn">HMDB34279</a></td><td class="ca">C19H18O5</td><td class="ca">326.115423686</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">175.055959</td><td class="ca">0.045959</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00508" target="_blank" class="btn">HMDB00508</a></td><td class="ca">C5H12O5</td><td class="ca">152.068473494</td><td class="ca">M+Na</td><td class="ca">+</td><td class="ca">175.057691</td><td class="ca">0.047691</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00568" target="_blank" class="btn">HMDB00568</a></td><td class="ca">C5H12O5</td><td class="ca">152.068473494</td><td class="ca">M+Na</td><td class="ca">+</td><td class="ca">175.057691</td><td class="ca">0.047691</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB01851" target="_blank" class="btn">HMDB01851</a></td><td class="ca">C5H12O5</td><td class="ca">152.068473494</td><td class="ca">M+Na</td><td class="ca">+</td><td class="ca">175.057691</td><td class="ca">0.047691</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB02917" target="_blank" class="btn">HMDB02917</a></td><td class="ca">C5H12O5</td><td class="ca">152.068473494</td><td class="ca">M+Na</td><td class="ca">+</td><td class="ca">175.057691</td><td class="ca">0.047691</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33730" target="_blank" class="btn">HMDB33730</a></td><td class="ca">C5H12O5</td><td class="ca">152.068473494</td><td class="ca">M+Na</td><td class="ca">+</td><td class="ca">175.057691</td><td class="ca">0.047691</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB39788" target="_blank" class="btn">HMDB39788</a></td><td class="ca">C5H6S2</td><td class="ca">129.991091572</td><td class="ca">M+2Na-H</td><td class="ca">+</td><td class="ca">174.962252</td><td class="ca">0.047748</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB39787" target="_blank" class="btn">HMDB39787</a></td><td class="ca">C5H6S2</td><td class="ca">129.991091572</td><td class="ca">M+2Na-H</td><td class="ca">+</td><td class="ca">174.962252</td><td class="ca">0.047748</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31853" target="_blank" class="btn">HMDB31853</a></td><td class="ca">C5H6S2</td><td class="ca">129.991091572</td><td class="ca">M+2Na-H</td><td class="ca">+</td><td class="ca">174.962252</td><td class="ca">0.047748</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB32939" target="_blank" class="btn">HMDB32939</a></td><td class="ca">C5H6S2</td><td class="ca">129.991091572</td><td class="ca">M+2Na-H</td><td class="ca">+</td><td class="ca">174.962252</td><td class="ca">0.047748</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB14118" target="_blank" class="btn">HMDB14118</a></td><td class="ca">C2HF3O2</td><td class="ca">113.992863891</td><td class="ca">M+IsoProp+H</td><td class="ca">+</td><td class="ca">175.058204</td><td class="ca">0.048204</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31238" target="_blank" class="btn">HMDB31238</a></td><td class="ca">C3H8S</td><td class="ca">76.034670946</td><td class="ca">2M+Na</td><td class="ca">+</td><td class="ca">175.05856</td><td class="ca">0.04856</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31634" target="_blank" class="btn">HMDB31634</a></td><td class="ca">C3H8S</td><td class="ca">76.034670946</td><td class="ca">2M+Na</td><td class="ca">+</td><td class="ca">175.05856</td><td class="ca">0.04856</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB34238" target="_blank" class="btn">HMDB34238</a></td><td class="ca">C3H8S</td><td class="ca">76.034670946</td><td class="ca">2M+Na</td><td class="ca">+</td><td class="ca">175.05856</td><td class="ca">0.04856</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB15583" target="_blank" class="btn">HMDB15583</a></td><td class="ca">C22H18N2</td><td class="ca">310.146998586</td><td class="ca">M+H+K</td><td class="ca">+</td><td class="ca">175.058716</td><td class="ca">0.048716</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB06590" target="_blank" class="btn">HMDB06590</a></td><td class="ca">C12H22O10</td><td class="ca">326.121296924</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">175.058895</td><td class="ca">0.048895</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB06701" target="_blank" class="btn">HMDB06701</a></td><td class="ca">C12H22O10</td><td class="ca">326.121296924</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">175.058895</td><td class="ca">0.048895</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29523" target="_blank" class="btn">HMDB29523</a></td><td class="ca">C12H22O10</td><td class="ca">326.121296924</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">175.058895</td><td class="ca">0.048895</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB40154" target="_blank" class="btn">HMDB40154</a></td><td class="ca">C12H22O10</td><td class="ca">326.121296924</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">175.058895</td><td class="ca">0.048895</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00630" target="_blank" class="btn">HMDB00630</a></td><td class="ca">C4H5N3O</td><td class="ca">111.043261797</td><td class="ca">M+ACN+Na</td><td class="ca">+</td><td class="ca">175.059027</td><td class="ca">0.049027</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB14021" target="_blank" class="btn">HMDB14021</a></td><td class="ca">C19H19FN2O</td><td class="ca">310.148141445</td><td class="ca">M+H+K</td><td class="ca">+</td><td class="ca">175.059288</td><td class="ca">0.049288</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB60576" target="_blank" class="btn">HMDB60576</a></td><td class="ca">C19H19FN2O</td><td class="ca">310.148141445</td><td class="ca">M+H+K</td><td class="ca">+</td><td class="ca">175.059288</td><td class="ca">0.049288</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB03826" target="_blank" class="btn">HMDB03826</a></td><td class="ca">C13H18N4O6</td><td class="ca">326.122634328</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">175.059564</td><td class="ca">0.049564</td></tr><tr class="green"><td class="ca" >mz_00002</td><td id="2" class="ca" >238.19</td><td class="ca" colspan="7"></td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB04043" target="_blank" class="btn">HMDB04043</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB36086" target="_blank" class="btn">HMDB36086</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB04472" target="_blank" class="btn">HMDB04472</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB05812" target="_blank" class="btn">HMDB05812</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35861" target="_blank" class="btn">HMDB35861</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB38025" target="_blank" class="btn">HMDB38025</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB37049" target="_blank" class="btn">HMDB37049</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31410" target="_blank" class="btn">HMDB31410</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB41034" target="_blank" class="btn">HMDB41034</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35815" target="_blank" class="btn">HMDB35815</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35819" target="_blank" class="btn">HMDB35819</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB36126" target="_blank" class="btn">HMDB36126</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB36112" target="_blank" class="btn">HMDB36112</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB37047" target="_blank" class="btn">HMDB37047</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB36196" target="_blank" class="btn">HMDB36196</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35955" target="_blank" class="btn">HMDB35955</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB36068" target="_blank" class="btn">HMDB36068</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB34976" target="_blank" class="btn">HMDB34976</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35818" target="_blank" class="btn">HMDB35818</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB36077" target="_blank" class="btn">HMDB36077</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB37019" target="_blank" class="btn">HMDB37019</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB34848" target="_blank" class="btn">HMDB34848</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35820" target="_blank" class="btn">HMDB35820</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35842" target="_blank" class="btn">HMDB35842</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35954" target="_blank" class="btn">HMDB35954</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB37016" target="_blank" class="btn">HMDB37016</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35783" target="_blank" class="btn">HMDB35783</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35825" target="_blank" class="btn">HMDB35825</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB37048" target="_blank" class="btn">HMDB37048</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB36096" target="_blank" class="btn">HMDB36096</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB37133" target="_blank" class="btn">HMDB37133</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB36097" target="_blank" class="btn">HMDB36097</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB36993" target="_blank" class="btn">HMDB36993</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB36991" target="_blank" class="btn">HMDB36991</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB37007" target="_blank" class="btn">HMDB37007</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35841" target="_blank" class="btn">HMDB35841</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB32118" target="_blank" class="btn">HMDB32118</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB36100" target="_blank" class="btn">HMDB36100</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB37006" target="_blank" class="btn">HMDB37006</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35823" target="_blank" class="btn">HMDB35823</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB37161" target="_blank" class="btn">HMDB37161</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB37215" target="_blank" class="btn">HMDB37215</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB41014" target="_blank" class="btn">HMDB41014</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35155" target="_blank" class="btn">HMDB35155</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB36996" target="_blank" class="btn">HMDB36996</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB30999" target="_blank" class="btn">HMDB30999</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB36101" target="_blank" class="btn">HMDB36101</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB36102" target="_blank" class="btn">HMDB36102</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB36107" target="_blank" class="btn">HMDB36107</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB36041" target="_blank" class="btn">HMDB36041</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB34972" target="_blank" class="btn">HMDB34972</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB40448" target="_blank" class="btn">HMDB40448</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB37214" target="_blank" class="btn">HMDB37214</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB34969" target="_blank" class="btn">HMDB34969</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB36078" target="_blank" class="btn">HMDB36078</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB38185" target="_blank" class="btn">HMDB38185</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35838" target="_blank" class="btn">HMDB35838</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35162" target="_blank" class="btn">HMDB35162</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB34932" target="_blank" class="btn">HMDB34932</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35272" target="_blank" class="btn">HMDB35272</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35833" target="_blank" class="btn">HMDB35833</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB32530" target="_blank" class="btn">HMDB32530</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB59881" target="_blank" class="btn">HMDB59881</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB59864" target="_blank" class="btn">HMDB59864</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB59869" target="_blank" class="btn">HMDB59869</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB61802" target="_blank" class="btn">HMDB61802</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB01422" target="_blank" class="btn">HMDB01422</a></td><td class="ca">C9H21N2O3</td><td class="ca">205.155217548</td><td class="ca">M+CH3OH+H</td><td class="ca">+</td><td class="ca">238.188707</td><td class="ca">0.001293</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB30326" target="_blank" class="btn">HMDB30326</a></td><td class="ca">C9H17NO</td><td class="ca">155.131014171</td><td class="ca">M+2ACN+H</td><td class="ca">+</td><td class="ca">238.191384</td><td class="ca">0.001384</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31179" target="_blank" class="btn">HMDB31179</a></td><td class="ca">C9H17NO</td><td class="ca">155.131014171</td><td class="ca">M+2ACN+H</td><td class="ca">+</td><td class="ca">238.191384</td><td class="ca">0.001384</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB39833" target="_blank" class="btn">HMDB39833</a></td><td class="ca">C9H17NO</td><td class="ca">155.131014171</td><td class="ca">M+2ACN+H</td><td class="ca">+</td><td class="ca">238.191384</td><td class="ca">0.001384</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB39834" target="_blank" class="btn">HMDB39834</a></td><td class="ca">C9H17NO</td><td class="ca">155.131014171</td><td class="ca">M+2ACN+H</td><td class="ca">+</td><td class="ca">238.191384</td><td class="ca">0.001384</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB14888" target="_blank" class="btn">HMDB14888</a></td><td class="ca">C13H20N2O</td><td class="ca">220.157563272</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.191386</td><td class="ca">0.001386</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB14362" target="_blank" class="btn">HMDB14362</a></td><td class="ca">C10H15N3</td><td class="ca">177.126597495</td><td class="ca">M+IsoProp+H</td><td class="ca">+</td><td class="ca">238.191937</td><td class="ca">0.001937</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB30898" target="_blank" class="btn">HMDB30898</a></td><td class="ca">C28H40O</td><td class="ca">392.307915902</td><td class="ca">M+2ACN+2H</td><td class="ca">+</td><td class="ca">238.187781</td><td class="ca">0.002219</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB40385" target="_blank" class="btn">HMDB40385</a></td><td class="ca">C39H41NO9</td><td class="ca">667.278131915</td><td class="ca">M+H+2Na</td><td class="ca">+</td><td class="ca">238.192234</td><td class="ca">0.002234</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB39692" target="_blank" class="btn">HMDB39692</a></td><td class="ca">C30H50O4</td><td class="ca">474.370910088</td><td class="ca">M+2H</td><td class="ca">+</td><td class="ca">238.192731</td><td class="ca">0.002731</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB34644" target="_blank" class="btn">HMDB34644</a></td><td class="ca">C30H50O4</td><td class="ca">474.370910088</td><td class="ca">M+2H</td><td class="ca">+</td><td class="ca">238.192731</td><td class="ca">0.002731</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB34683" target="_blank" class="btn">HMDB34683</a></td><td class="ca">C30H50O4</td><td class="ca">474.370910088</td><td class="ca">M+2H</td><td class="ca">+</td><td class="ca">238.192731</td><td class="ca">0.002731</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB34505" target="_blank" class="btn">HMDB34505</a></td><td class="ca">C30H50O4</td><td class="ca">474.370910088</td><td class="ca">M+2H</td><td class="ca">+</td><td class="ca">238.192731</td><td class="ca">0.002731</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35326" target="_blank" class="btn">HMDB35326</a></td><td class="ca">C30H50O4</td><td class="ca">474.370910088</td><td class="ca">M+2H</td><td class="ca">+</td><td class="ca">238.192731</td><td class="ca">0.002731</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB34528" target="_blank" class="btn">HMDB34528</a></td><td class="ca">C30H50O4</td><td class="ca">474.370910088</td><td class="ca">M+2H</td><td class="ca">+</td><td class="ca">238.192731</td><td class="ca">0.002731</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB15415" target="_blank" class="btn">HMDB15415</a></td><td class="ca">C12H21N5O3</td><td class="ca">283.164439563</td><td class="ca">M+2Na+H</td><td class="ca">+</td><td class="ca">238.19328</td><td class="ca">0.00328</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB28890" target="_blank" class="btn">HMDB28890</a></td><td class="ca">C12H21N5O3</td><td class="ca">283.164439563</td><td class="ca">M+2Na+H</td><td class="ca">+</td><td class="ca">238.19328</td><td class="ca">0.00328</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB28953" target="_blank" class="btn">HMDB28953</a></td><td class="ca">C12H21N5O3</td><td class="ca">283.164439563</td><td class="ca">M+2Na+H</td><td class="ca">+</td><td class="ca">238.19328</td><td class="ca">0.00328</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB41845" target="_blank" class="btn">HMDB41845</a></td><td class="ca">C12H21N5O3</td><td class="ca">283.164439563</td><td class="ca">M+2Na+H</td><td class="ca">+</td><td class="ca">238.19328</td><td class="ca">0.00328</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB12189" target="_blank" class="btn">HMDB12189</a></td><td class="ca">C8H21N3</td><td class="ca">159.173547687</td><td class="ca">M+DMSO+H</td><td class="ca">+</td><td class="ca">238.194768</td><td class="ca">0.004768</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31506" target="_blank" class="btn">HMDB31506</a></td><td class="ca">C8H21N3</td><td class="ca">159.173547687</td><td class="ca">M+DMSO+H</td><td class="ca">+</td><td class="ca">238.194768</td><td class="ca">0.004768</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB34814" target="_blank" class="btn">HMDB34814</a></td><td class="ca">C30H54O</td><td class="ca">430.41746635</td><td class="ca">M+2Na</td><td class="ca">+</td><td class="ca">238.197951</td><td class="ca">0.007951</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB04437" target="_blank" class="btn">HMDB04437</a></td><td class="ca">C4H11NO2</td><td class="ca">105.078978601</td><td class="ca">2M+3H2O+2H</td><td class="ca">+</td><td class="ca">238.181077</td><td class="ca">0.008923</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB34839" target="_blank" class="btn">HMDB34839</a></td><td class="ca">C31H48O2</td><td class="ca">452.36543078</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">238.180962</td><td class="ca">0.009038</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB60502" target="_blank" class="btn">HMDB60502</a></td><td class="ca">C31H48O2</td><td class="ca">452.36543078</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">238.180962</td><td class="ca">0.009038</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35234" target="_blank" class="btn">HMDB35234</a></td><td class="ca">C29H56O2</td><td class="ca">436.428031036</td><td class="ca">M+H+K</td><td class="ca">+</td><td class="ca">238.199233</td><td class="ca">0.009233</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB37327" target="_blank" class="btn">HMDB37327</a></td><td class="ca">C29H56O2</td><td class="ca">436.428031036</td><td class="ca">M+H+K</td><td class="ca">+</td><td class="ca">238.199233</td><td class="ca">0.009233</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35536" target="_blank" class="btn">HMDB35536</a></td><td class="ca">C29H56O2</td><td class="ca">436.428031036</td><td class="ca">M+H+K</td><td class="ca">+</td><td class="ca">238.199233</td><td class="ca">0.009233</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35537" target="_blank" class="btn">HMDB35537</a></td><td class="ca">C29H56O2</td><td class="ca">436.428031036</td><td class="ca">M+H+K</td><td class="ca">+</td><td class="ca">238.199233</td><td class="ca">0.009233</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB37328" target="_blank" class="btn">HMDB37328</a></td><td class="ca">C29H56O2</td><td class="ca">436.428031036</td><td class="ca">M+H+K</td><td class="ca">+</td><td class="ca">238.199233</td><td class="ca">0.009233</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB14968" target="_blank" class="btn">HMDB14968</a></td><td class="ca">C11H15NO</td><td class="ca">177.115364107</td><td class="ca">M+IsoProp+H</td><td class="ca">+</td><td class="ca">238.180704</td><td class="ca">0.009296</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB40017" target="_blank" class="btn">HMDB40017</a></td><td class="ca">C11H15NO</td><td class="ca">177.115364107</td><td class="ca">M+IsoProp+H</td><td class="ca">+</td><td class="ca">238.180704</td><td class="ca">0.009296</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB39667" target="_blank" class="btn">HMDB39667</a></td><td class="ca">C11H15NO</td><td class="ca">177.115364107</td><td class="ca">M+IsoProp+H</td><td class="ca">+</td><td class="ca">238.180704</td><td class="ca">0.009296</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33484" target="_blank" class="btn">HMDB33484</a></td><td class="ca">C11H15NO</td><td class="ca">177.115364107</td><td class="ca">M+IsoProp+H</td><td class="ca">+</td><td class="ca">238.180704</td><td class="ca">0.009296</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB39664" target="_blank" class="btn">HMDB39664</a></td><td class="ca">C11H15NO</td><td class="ca">177.115364107</td><td class="ca">M+IsoProp+H</td><td class="ca">+</td><td class="ca">238.180704</td><td class="ca">0.009296</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB40018" target="_blank" class="btn">HMDB40018</a></td><td class="ca">C11H15NO</td><td class="ca">177.115364107</td><td class="ca">M+IsoProp+H</td><td class="ca">+</td><td class="ca">238.180704</td><td class="ca">0.009296</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB40020" target="_blank" class="btn">HMDB40020</a></td><td class="ca">C11H15NO</td><td class="ca">177.115364107</td><td class="ca">M+IsoProp+H</td><td class="ca">+</td><td class="ca">238.180704</td><td class="ca">0.009296</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB40027" target="_blank" class="btn">HMDB40027</a></td><td class="ca">C11H15NO</td><td class="ca">177.115364107</td><td class="ca">M+IsoProp+H</td><td class="ca">+</td><td class="ca">238.180704</td><td class="ca">0.009296</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB40014" target="_blank" class="btn">HMDB40014</a></td><td class="ca">C11H15NO</td><td class="ca">177.115364107</td><td class="ca">M+IsoProp+H</td><td class="ca">+</td><td class="ca">238.180704</td><td class="ca">0.009296</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB40019" target="_blank" class="btn">HMDB40019</a></td><td class="ca">C11H15NO</td><td class="ca">177.115364107</td><td class="ca">M+IsoProp+H</td><td class="ca">+</td><td class="ca">238.180704</td><td class="ca">0.009296</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB41923" target="_blank" class="btn">HMDB41923</a></td><td class="ca">C11H15NO</td><td class="ca">177.115364107</td><td class="ca">M+IsoProp+H</td><td class="ca">+</td><td class="ca">238.180704</td><td class="ca">0.009296</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB30273" target="_blank" class="btn">HMDB30273</a></td><td class="ca">C28H46N2O4</td><td class="ca">474.34575797</td><td class="ca">M+2H</td><td class="ca">+</td><td class="ca">238.180155</td><td class="ca">0.009845</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00698" target="_blank" class="btn">HMDB00698</a></td><td class="ca">C26H43NO4</td><td class="ca">433.319208869</td><td class="ca">M+ACN+2H</td><td class="ca">+</td><td class="ca">238.180154</td><td class="ca">0.009846</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB15072" target="_blank" class="btn">HMDB15072</a></td><td class="ca">C13H19NO</td><td class="ca">205.146664235</td><td class="ca">M+CH3OH+H</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00946" target="_blank" class="btn">HMDB00946</a></td><td class="ca">C24H40O4</td><td class="ca">392.292659768</td><td class="ca">M+2ACN+2H</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB03315" target="_blank" class="btn">HMDB03315</a></td><td class="ca">C6H10O</td><td class="ca">98.073164942</td><td class="ca">2M+ACN+H</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00348" target="_blank" class="btn">HMDB00348</a></td><td class="ca">C24H40O4</td><td class="ca">392.292659768</td><td class="ca">M+2ACN+2H</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00361" target="_blank" class="btn">HMDB00361</a></td><td class="ca">C24H40O4</td><td class="ca">392.292659768</td><td class="ca">M+2ACN+2H</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00384" target="_blank" class="btn">HMDB00384</a></td><td class="ca">C24H40O4</td><td class="ca">392.292659768</td><td class="ca">M+2ACN+2H</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00411" target="_blank" class="btn">HMDB00411</a></td><td class="ca">C24H40O4</td><td class="ca">392.292659768</td><td class="ca">M+2ACN+2H</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00438" target="_blank" class="btn">HMDB00438</a></td><td class="ca">C24H40O4</td><td class="ca">392.292659768</td><td class="ca">M+2ACN+2H</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00478" target="_blank" class="btn">HMDB00478</a></td><td class="ca">C24H40O4</td><td class="ca">392.292659768</td><td class="ca">M+2ACN+2H</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00514" target="_blank" class="btn">HMDB00514</a></td><td class="ca">C24H40O4</td><td class="ca">392.292659768</td><td class="ca">M+2ACN+2H</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00518" target="_blank" class="btn">HMDB00518</a></td><td class="ca">C24H40O4</td><td class="ca">392.292659768</td><td class="ca">M+2ACN+2H</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00626" target="_blank" class="btn">HMDB00626</a></td><td class="ca">C24H40O4</td><td class="ca">392.292659768</td><td class="ca">M+2ACN+2H</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00664" target="_blank" class="btn">HMDB00664</a></td><td class="ca">C24H40O4</td><td class="ca">392.292659768</td><td class="ca">M+2ACN+2H</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00686" target="_blank" class="btn">HMDB00686</a></td><td class="ca">C24H40O4</td><td class="ca">392.292659768</td><td class="ca">M+2ACN+2H</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00733" target="_blank" class="btn">HMDB00733</a></td><td class="ca">C24H40O4</td><td class="ca">392.292659768</td><td class="ca">M+2ACN+2H</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00811" target="_blank" class="btn">HMDB00811</a></td><td class="ca">C24H40O4</td><td class="ca">392.292659768</td><td class="ca">M+2ACN+2H</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB02451" target="_blank" class="btn">HMDB02451</a></td><td class="ca">C24H40O4</td><td class="ca">392.292659768</td><td class="ca">M+2ACN+2H</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB02488" target="_blank" class="btn">HMDB02488</a></td><td class="ca">C24H40O4</td><td class="ca">392.292659768</td><td class="ca">M+2ACN+2H</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB02536" target="_blank" class="btn">HMDB02536</a></td><td class="ca">C24H40O4</td><td class="ca">392.292659768</td><td class="ca">M+2ACN+2H</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB02585" target="_blank" class="btn">HMDB02585</a></td><td class="ca">C24H40O4</td><td class="ca">392.292659768</td><td class="ca">M+2ACN+2H</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB32901" target="_blank" class="btn">HMDB32901</a></td><td class="ca">C12H20O2</td><td class="ca">196.146329884</td><td class="ca">M+ACN+H</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31692" target="_blank" class="btn">HMDB31692</a></td><td class="ca">C12H20O2</td><td class="ca">196.146329884</td><td class="ca">M+ACN+H</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31030" target="_blank" class="btn">HMDB31030</a></td><td class="ca">C12H20O2</td><td class="ca">196.146329884</td><td class="ca">M+ACN+H</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB36599" target="_blank" class="btn">HMDB36599</a></td><td class="ca">C12H20O2</td><td class="ca">196.146329884</td><td class="ca">M+ACN+H</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB34903" target="_blank" class="btn">HMDB34903</a></td><td class="ca">C12H20O2</td><td class="ca">196.146329884</td><td class="ca">M+ACN+H</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB39539" target="_blank" class="btn">HMDB39539</a></td><td class="ca">C14H20O2</td><td class="ca">220.146329884</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB38996" target="_blank" class="btn">HMDB38996</a></td><td class="ca">C14H20O2</td><td class="ca">220.146329884</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB37606" target="_blank" class="btn">HMDB37606</a></td><td class="ca">C14H20O2</td><td class="ca">220.146329884</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31563" target="_blank" class="btn">HMDB31563</a></td><td class="ca">C6H10O</td><td class="ca">98.073164942</td><td class="ca">2M+ACN+H</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB38280" target="_blank" class="btn">HMDB38280</a></td><td class="ca">C12H20O2</td><td class="ca">196.146329884</td><td class="ca">M+ACN+H</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB41469" target="_blank" class="btn">HMDB41469</a></td><td class="ca">C12H20O2</td><td class="ca">196.146329884</td><td class="ca">M+ACN+H</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB30332" target="_blank" class="btn">HMDB30332</a></td><td class="ca">C6H10O</td><td class="ca">98.073164942</td><td class="ca">2M+ACN+H</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB32193" target="_blank" class="btn">HMDB32193</a></td><td class="ca">C12H20O2</td><td class="ca">196.146329884</td><td class="ca">M+ACN+H</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB40277" target="_blank" class="btn">HMDB40277</a></td><td class="ca">C7H10O</td><td class="ca">110.073164942</td><td class="ca">2M+NH4</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35157" target="_blank" class="btn">HMDB35157</a></td><td class="ca">C12H20O2</td><td class="ca">196.146329884</td><td class="ca">M+ACN+H</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB36389" target="_blank" class="btn">HMDB36389</a></td><td class="ca">C14H20O2</td><td class="ca">220.146329884</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB40206" target="_blank" class="btn">HMDB40206</a></td><td class="ca">C12H20O2</td><td class="ca">196.146329884</td><td class="ca">M+ACN+H</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31564" target="_blank" class="btn">HMDB31564</a></td><td class="ca">C6H10O</td><td class="ca">98.073164942</td><td class="ca">2M+ACN+H</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29728" target="_blank" class="btn">HMDB29728</a></td><td class="ca">C7H10O</td><td class="ca">110.073164942</td><td class="ca">2M+NH4</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB40217" target="_blank" class="btn">HMDB40217</a></td><td class="ca">C14H20O2</td><td class="ca">220.146329884</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB40226" target="_blank" class="btn">HMDB40226</a></td><td class="ca">C14H20O2</td><td class="ca">220.146329884</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB30867" target="_blank" class="btn">HMDB30867</a></td><td class="ca">C12H20O2</td><td class="ca">196.146329884</td><td class="ca">M+ACN+H</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB38270" target="_blank" class="btn">HMDB38270</a></td><td class="ca">C12H20O2</td><td class="ca">196.146329884</td><td class="ca">M+ACN+H</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB30945" target="_blank" class="btn">HMDB30945</a></td><td class="ca">C12H20O2</td><td class="ca">196.146329884</td><td class="ca">M+ACN+H</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33714" target="_blank" class="btn">HMDB33714</a></td><td class="ca">C6H10O</td><td class="ca">98.073164942</td><td class="ca">2M+ACN+H</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33549" target="_blank" class="btn">HMDB33549</a></td><td class="ca">C6H10O</td><td class="ca">98.073164942</td><td class="ca">2M+ACN+H</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31498" target="_blank" class="btn">HMDB31498</a></td><td class="ca">C6H10O</td><td class="ca">98.073164942</td><td class="ca">2M+ACN+H</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31497" target="_blank" class="btn">HMDB31497</a></td><td class="ca">C6H10O</td><td class="ca">98.073164942</td><td class="ca">2M+ACN+H</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31196" target="_blank" class="btn">HMDB31196</a></td><td class="ca">C6H10O</td><td class="ca">98.073164942</td><td class="ca">2M+ACN+H</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB39522" target="_blank" class="btn">HMDB39522</a></td><td class="ca">C12H20O2</td><td class="ca">196.146329884</td><td class="ca">M+ACN+H</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB40725" target="_blank" class="btn">HMDB40725</a></td><td class="ca">C12H20O2</td><td class="ca">196.146329884</td><td class="ca">M+ACN+H</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB13817" target="_blank" class="btn">HMDB13817</a></td><td class="ca">C14H20O2</td><td class="ca">220.146329884</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29721" target="_blank" class="btn">HMDB29721</a></td><td class="ca">C7H10O</td><td class="ca">110.073164942</td><td class="ca">2M+NH4</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB37718" target="_blank" class="btn">HMDB37718</a></td><td class="ca">C14H20O2</td><td class="ca">220.146329884</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31496" target="_blank" class="btn">HMDB31496</a></td><td class="ca">C6H10O</td><td class="ca">98.073164942</td><td class="ca">2M+ACN+H</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31541" target="_blank" class="btn">HMDB31541</a></td><td class="ca">C7H10O</td><td class="ca">110.073164942</td><td class="ca">2M+NH4</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB36048" target="_blank" class="btn">HMDB36048</a></td><td class="ca">C12H20O2</td><td class="ca">196.146329884</td><td class="ca">M+ACN+H</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB40397" target="_blank" class="btn">HMDB40397</a></td><td class="ca">C12H20O2</td><td class="ca">196.146329884</td><td class="ca">M+ACN+H</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB32051" target="_blank" class="btn">HMDB32051</a></td><td class="ca">C12H20O2</td><td class="ca">196.146329884</td><td class="ca">M+ACN+H</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35239" target="_blank" class="btn">HMDB35239</a></td><td class="ca">C6H10O</td><td class="ca">98.073164942</td><td class="ca">2M+ACN+H</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB41494" target="_blank" class="btn">HMDB41494</a></td><td class="ca">C12H20O2</td><td class="ca">196.146329884</td><td class="ca">M+ACN+H</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB40264" target="_blank" class="btn">HMDB40264</a></td><td class="ca">C6H10O</td><td class="ca">98.073164942</td><td class="ca">2M+ACN+H</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB37714" target="_blank" class="btn">HMDB37714</a></td><td class="ca">C14H20O2</td><td class="ca">220.146329884</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB40278" target="_blank" class="btn">HMDB40278</a></td><td class="ca">C7H10O</td><td class="ca">110.073164942</td><td class="ca">2M+NH4</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB40227" target="_blank" class="btn">HMDB40227</a></td><td class="ca">C12H20O2</td><td class="ca">196.146329884</td><td class="ca">M+ACN+H</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB37301" target="_blank" class="btn">HMDB37301</a></td><td class="ca">C12H20O2</td><td class="ca">196.146329884</td><td class="ca">M+ACN+H</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB61891" target="_blank" class="btn">HMDB61891</a></td><td class="ca">C7H10O</td><td class="ca">110.073164942</td><td class="ca">2M+NH4</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB40271" target="_blank" class="btn">HMDB40271</a></td><td class="ca">C6H10O</td><td class="ca">98.073164942</td><td class="ca">2M+ACN+H</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB32331" target="_blank" class="btn">HMDB32331</a></td><td class="ca">C12H20O2</td><td class="ca">196.146329884</td><td class="ca">M+ACN+H</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB62144" target="_blank" class="btn">HMDB62144</a></td><td class="ca">C12H20O2</td><td class="ca">196.146329884</td><td class="ca">M+ACN+H</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB60843" target="_blank" class="btn">HMDB60843</a></td><td class="ca">C13H19NO</td><td class="ca">205.146664235</td><td class="ca">M+CH3OH+H</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB61816" target="_blank" class="btn">HMDB61816</a></td><td class="ca">C12H20O2</td><td class="ca">196.146329884</td><td class="ca">M+ACN+H</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB62031" target="_blank" class="btn">HMDB62031</a></td><td class="ca">C6H10O</td><td class="ca">98.073164942</td><td class="ca">2M+ACN+H</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB62127" target="_blank" class="btn">HMDB62127</a></td><td class="ca">C6H10O</td><td class="ca">98.073164942</td><td class="ca">2M+ACN+H</td><td class="ca">+</td><td class="ca">238.180153</td><td class="ca">0.009847</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB07895" target="_blank" class="btn">HMDB07895</a></td><td class="ca">C38H76NO7P</td><td class="ca">689.535940303</td><td class="ca">M+2H+Na</td><td class="ca">+</td><td class="ca">238.179903</td><td class="ca">0.010097</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB08917" target="_blank" class="btn">HMDB08917</a></td><td class="ca">C38H76NO7P</td><td class="ca">689.535940303</td><td class="ca">M+2H+Na</td><td class="ca">+</td><td class="ca">238.179903</td><td class="ca">0.010097</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB11203" target="_blank" class="btn">HMDB11203</a></td><td class="ca">C38H76NO7P</td><td class="ca">689.535940303</td><td class="ca">M+2H+Na</td><td class="ca">+</td><td class="ca">238.179903</td><td class="ca">0.010097</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB11370" target="_blank" class="btn">HMDB11370</a></td><td class="ca">C38H76NO7P</td><td class="ca">689.535940303</td><td class="ca">M+2H+Na</td><td class="ca">+</td><td class="ca">238.179903</td><td class="ca">0.010097</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB13402" target="_blank" class="btn">HMDB13402</a></td><td class="ca">C38H76NO7P</td><td class="ca">689.535940303</td><td class="ca">M+2H+Na</td><td class="ca">+</td><td class="ca">238.179903</td><td class="ca">0.010097</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB13403" target="_blank" class="btn">HMDB13403</a></td><td class="ca">C38H76NO7P</td><td class="ca">689.535940303</td><td class="ca">M+2H+Na</td><td class="ca">+</td><td class="ca">238.179903</td><td class="ca">0.010097</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB01893" target="_blank" class="btn">HMDB01893</a></td><td class="ca">C29H50O2</td><td class="ca">430.381080844</td><td class="ca">M+2Na</td><td class="ca">+</td><td class="ca">238.179758</td><td class="ca">0.010242</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB12171" target="_blank" class="btn">HMDB12171</a></td><td class="ca">C29H50O2</td><td class="ca">430.381080844</td><td class="ca">M+2Na</td><td class="ca">+</td><td class="ca">238.179758</td><td class="ca">0.010242</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB30022" target="_blank" class="btn">HMDB30022</a></td><td class="ca">C29H50O2</td><td class="ca">430.381080844</td><td class="ca">M+2Na</td><td class="ca">+</td><td class="ca">238.179758</td><td class="ca">0.010242</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB59642" target="_blank" class="btn">HMDB59642</a></td><td class="ca">C29H50O2</td><td class="ca">430.381080844</td><td class="ca">M+2Na</td><td class="ca">+</td><td class="ca">238.179758</td><td class="ca">0.010242</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB37163" target="_blank" class="btn">HMDB37163</a></td><td class="ca">C11H24O4</td><td class="ca">220.167459256</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.201282</td><td class="ca">0.011282</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB30083" target="_blank" class="btn">HMDB30083</a></td><td class="ca">C10H22O2</td><td class="ca">174.161979948</td><td class="ca">M+ACN+Na</td><td class="ca">+</td><td class="ca">238.177745</td><td class="ca">0.012255</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB37639" target="_blank" class="btn">HMDB37639</a></td><td class="ca">C10H22O2</td><td class="ca">174.161979948</td><td class="ca">M+ACN+Na</td><td class="ca">+</td><td class="ca">238.177745</td><td class="ca">0.012255</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB40267" target="_blank" class="btn">HMDB40267</a></td><td class="ca">C10H22O2</td><td class="ca">174.161979948</td><td class="ca">M+ACN+Na</td><td class="ca">+</td><td class="ca">238.177745</td><td class="ca">0.012255</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB61936" target="_blank" class="btn">HMDB61936</a></td><td class="ca">C10H22O2</td><td class="ca">174.161979948</td><td class="ca">M+ACN+Na</td><td class="ca">+</td><td class="ca">238.177745</td><td class="ca">0.012255</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB37787" target="_blank" class="btn">HMDB37787</a></td><td class="ca">C5H10N2</td><td class="ca">98.08439833</td><td class="ca">2M+ACN+H</td><td class="ca">+</td><td class="ca">238.20262</td><td class="ca">0.01262</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB01009" target="_blank" class="btn">HMDB01009</a></td><td class="ca">C11H17N2</td><td class="ca">177.139173554</td><td class="ca">M+IsoProp+H</td><td class="ca">+</td><td class="ca">238.204514</td><td class="ca">0.014514</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35144" target="_blank" class="btn">HMDB35144</a></td><td class="ca">C29H46O5</td><td class="ca">474.334524582</td><td class="ca">M+2H</td><td class="ca">+</td><td class="ca">238.174538</td><td class="ca">0.015462</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35221" target="_blank" class="btn">HMDB35221</a></td><td class="ca">C29H46O5</td><td class="ca">474.334524582</td><td class="ca">M+2H</td><td class="ca">+</td><td class="ca">238.174538</td><td class="ca">0.015462</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00483" target="_blank" class="btn">HMDB00483</a></td><td class="ca">C27H48O5</td><td class="ca">452.350174646</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">238.173334</td><td class="ca">0.016666</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00513" target="_blank" class="btn">HMDB00513</a></td><td class="ca">C27H48O5</td><td class="ca">452.350174646</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">238.173334</td><td class="ca">0.016666</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00556" target="_blank" class="btn">HMDB00556</a></td><td class="ca">C27H48O5</td><td class="ca">452.350174646</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">238.173334</td><td class="ca">0.016666</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00558" target="_blank" class="btn">HMDB00558</a></td><td class="ca">C27H48O5</td><td class="ca">452.350174646</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">238.173334</td><td class="ca">0.016666</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB02180" target="_blank" class="btn">HMDB02180</a></td><td class="ca">C27H48O5</td><td class="ca">452.350174646</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">238.173334</td><td class="ca">0.016666</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB02208" target="_blank" class="btn">HMDB02208</a></td><td class="ca">C27H48O5</td><td class="ca">452.350174646</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">238.173334</td><td class="ca">0.016666</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB60994" target="_blank" class="btn">HMDB60994</a></td><td class="ca">C15H25NO4</td><td class="ca">283.178358293</td><td class="ca">M+2Na+H</td><td class="ca">+</td><td class="ca">238.207198</td><td class="ca">0.017198</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB39019" target="_blank" class="btn">HMDB39019</a></td><td class="ca">C27H36O2</td><td class="ca">392.271530396</td><td class="ca">M+2ACN+2H</td><td class="ca">+</td><td class="ca">238.169588</td><td class="ca">0.020412</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB08838" target="_blank" class="btn">HMDB08838</a></td><td class="ca">C39H70NO8P</td><td class="ca">711.483904733</td><td class="ca">M+3H</td><td class="ca">+</td><td class="ca">238.168578</td><td class="ca">0.021422</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB08839" target="_blank" class="btn">HMDB08839</a></td><td class="ca">C39H70NO8P</td><td class="ca">711.483904733</td><td class="ca">M+3H</td><td class="ca">+</td><td class="ca">238.168578</td><td class="ca">0.021422</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB08870" target="_blank" class="btn">HMDB08870</a></td><td class="ca">C39H70NO8P</td><td class="ca">711.483904733</td><td class="ca">M+3H</td><td class="ca">+</td><td class="ca">238.168578</td><td class="ca">0.021422</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB08869" target="_blank" class="btn">HMDB08869</a></td><td class="ca">C39H70NO8P</td><td class="ca">711.483904733</td><td class="ca">M+3H</td><td class="ca">+</td><td class="ca">238.168578</td><td class="ca">0.021422</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB08931" target="_blank" class="btn">HMDB08931</a></td><td class="ca">C39H70NO8P</td><td class="ca">711.483904733</td><td class="ca">M+3H</td><td class="ca">+</td><td class="ca">238.168578</td><td class="ca">0.021422</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB08963" target="_blank" class="btn">HMDB08963</a></td><td class="ca">C39H70NO8P</td><td class="ca">711.483904733</td><td class="ca">M+3H</td><td class="ca">+</td><td class="ca">238.168578</td><td class="ca">0.021422</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB08962" target="_blank" class="btn">HMDB08962</a></td><td class="ca">C39H70NO8P</td><td class="ca">711.483904733</td><td class="ca">M+3H</td><td class="ca">+</td><td class="ca">238.168578</td><td class="ca">0.021422</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB09122" target="_blank" class="btn">HMDB09122</a></td><td class="ca">C39H70NO8P</td><td class="ca">711.483904733</td><td class="ca">M+3H</td><td class="ca">+</td><td class="ca">238.168578</td><td class="ca">0.021422</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB09155" target="_blank" class="btn">HMDB09155</a></td><td class="ca">C39H70NO8P</td><td class="ca">711.483904733</td><td class="ca">M+3H</td><td class="ca">+</td><td class="ca">238.168578</td><td class="ca">0.021422</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB09187" target="_blank" class="btn">HMDB09187</a></td><td class="ca">C39H70NO8P</td><td class="ca">711.483904733</td><td class="ca">M+3H</td><td class="ca">+</td><td class="ca">238.168578</td><td class="ca">0.021422</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB09317" target="_blank" class="btn">HMDB09317</a></td><td class="ca">C39H70NO8P</td><td class="ca">711.483904733</td><td class="ca">M+3H</td><td class="ca">+</td><td class="ca">238.168578</td><td class="ca">0.021422</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB09350" target="_blank" class="btn">HMDB09350</a></td><td class="ca">C39H70NO8P</td><td class="ca">711.483904733</td><td class="ca">M+3H</td><td class="ca">+</td><td class="ca">238.168578</td><td class="ca">0.021422</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB09382" target="_blank" class="btn">HMDB09382</a></td><td class="ca">C39H70NO8P</td><td class="ca">711.483904733</td><td class="ca">M+3H</td><td class="ca">+</td><td class="ca">238.168578</td><td class="ca">0.021422</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB09415" target="_blank" class="btn">HMDB09415</a></td><td class="ca">C39H70NO8P</td><td class="ca">711.483904733</td><td class="ca">M+3H</td><td class="ca">+</td><td class="ca">238.168578</td><td class="ca">0.021422</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB07901" target="_blank" class="btn">HMDB07901</a></td><td class="ca">C37H72NO8P</td><td class="ca">689.499554797</td><td class="ca">M+2H+Na</td><td class="ca">+</td><td class="ca">238.167775</td><td class="ca">0.022225</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB07933" target="_blank" class="btn">HMDB07933</a></td><td class="ca">C37H72NO8P</td><td class="ca">689.499554797</td><td class="ca">M+2H+Na</td><td class="ca">+</td><td class="ca">238.167775</td><td class="ca">0.022225</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB08827" target="_blank" class="btn">HMDB08827</a></td><td class="ca">C37H72NO8P</td><td class="ca">689.49955528</td><td class="ca">M+2H+Na</td><td class="ca">+</td><td class="ca">238.167775</td><td class="ca">0.022225</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB08828" target="_blank" class="btn">HMDB08828</a></td><td class="ca">C37H72NO8P</td><td class="ca">689.49955528</td><td class="ca">M+2H+Na</td><td class="ca">+</td><td class="ca">238.167775</td><td class="ca">0.022225</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB08859" target="_blank" class="btn">HMDB08859</a></td><td class="ca">C37H72NO8P</td><td class="ca">689.499554797</td><td class="ca">M+2H+Na</td><td class="ca">+</td><td class="ca">238.167775</td><td class="ca">0.022225</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB08924" target="_blank" class="btn">HMDB08924</a></td><td class="ca">C37H72NO8P</td><td class="ca">689.49955528</td><td class="ca">M+2H+Na</td><td class="ca">+</td><td class="ca">238.167775</td><td class="ca">0.022225</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB08956" target="_blank" class="btn">HMDB08956</a></td><td class="ca">C37H72NO8P</td><td class="ca">689.49955528</td><td class="ca">M+2H+Na</td><td class="ca">+</td><td class="ca">238.167775</td><td class="ca">0.022225</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB08987" target="_blank" class="btn">HMDB08987</a></td><td class="ca">C37H72NO8P</td><td class="ca">689.499554797</td><td class="ca">M+2H+Na</td><td class="ca">+</td><td class="ca">238.167775</td><td class="ca">0.022225</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB09019" target="_blank" class="btn">HMDB09019</a></td><td class="ca">C37H72NO8P</td><td class="ca">689.49955528</td><td class="ca">M+2H+Na</td><td class="ca">+</td><td class="ca">238.167775</td><td class="ca">0.022225</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB09052" target="_blank" class="btn">HMDB09052</a></td><td class="ca">C37H72NO8P</td><td class="ca">689.49955528</td><td class="ca">M+2H+Na</td><td class="ca">+</td><td class="ca">238.167775</td><td class="ca">0.022225</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB15050" target="_blank" class="btn">HMDB15050</a></td><td class="ca">C10H15N5</td><td class="ca">205.132745505</td><td class="ca">M+CH3OH+H</td><td class="ca">+</td><td class="ca">238.166235</td><td class="ca">0.023765</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35360" target="_blank" class="btn">HMDB35360</a></td><td class="ca">C7H15NO4</td><td class="ca">177.100107973</td><td class="ca">M+IsoProp+H</td><td class="ca">+</td><td class="ca">238.165448</td><td class="ca">0.024552</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29936" target="_blank" class="btn">HMDB29936</a></td><td class="ca">C9H20NO2</td><td class="ca">174.149403889</td><td class="ca">M+ACN+Na</td><td class="ca">+</td><td class="ca">238.165169</td><td class="ca">0.024831</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB13223" target="_blank" class="btn">HMDB13223</a></td><td class="ca">C9H20NO2</td><td class="ca">174.149403889</td><td class="ca">M+ACN+Na</td><td class="ca">+</td><td class="ca">238.165169</td><td class="ca">0.024831</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB04231" target="_blank" class="btn">HMDB04231</a></td><td class="ca">C9H19NO4</td><td class="ca">205.131408101</td><td class="ca">M+CH3OH+H</td><td class="ca">+</td><td class="ca">238.164897</td><td class="ca">0.025103</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35645" target="_blank" class="btn">HMDB35645</a></td><td class="ca">C15H24O</td><td class="ca">220.18271539</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.216538</td><td class="ca">0.026538</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB37395" target="_blank" class="btn">HMDB37395</a></td><td class="ca">C15H24O</td><td class="ca">220.18271539</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.216538</td><td class="ca">0.026538</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35720" target="_blank" class="btn">HMDB35720</a></td><td class="ca">C15H24O</td><td class="ca">220.18271539</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.216538</td><td class="ca">0.026538</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB39711" target="_blank" class="btn">HMDB39711</a></td><td class="ca">C15H24O</td><td class="ca">220.18271539</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.216538</td><td class="ca">0.026538</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB36118" target="_blank" class="btn">HMDB36118</a></td><td class="ca">C15H24O</td><td class="ca">220.18271539</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.216538</td><td class="ca">0.026538</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35306" target="_blank" class="btn">HMDB35306</a></td><td class="ca">C15H24O</td><td class="ca">220.18271539</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.216538</td><td class="ca">0.026538</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB34940" target="_blank" class="btn">HMDB34940</a></td><td class="ca">C15H24O</td><td class="ca">220.18271539</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.216538</td><td class="ca">0.026538</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB30232" target="_blank" class="btn">HMDB30232</a></td><td class="ca">C15H24O</td><td class="ca">220.18271539</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.216538</td><td class="ca">0.026538</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB36793" target="_blank" class="btn">HMDB36793</a></td><td class="ca">C15H24O</td><td class="ca">220.18271539</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.216538</td><td class="ca">0.026538</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35097" target="_blank" class="btn">HMDB35097</a></td><td class="ca">C15H24O</td><td class="ca">220.18271539</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.216538</td><td class="ca">0.026538</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB36789" target="_blank" class="btn">HMDB36789</a></td><td class="ca">C15H24O</td><td class="ca">220.18271539</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.216538</td><td class="ca">0.026538</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35020" target="_blank" class="btn">HMDB35020</a></td><td class="ca">C15H24O</td><td class="ca">220.18271539</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.216538</td><td class="ca">0.026538</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB41490" target="_blank" class="btn">HMDB41490</a></td><td class="ca">C13H24O</td><td class="ca">196.18271539</td><td class="ca">M+ACN+H</td><td class="ca">+</td><td class="ca">238.216538</td><td class="ca">0.026538</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB40763" target="_blank" class="btn">HMDB40763</a></td><td class="ca">C15H24O</td><td class="ca">220.18271539</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.216538</td><td class="ca">0.026538</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB38209" target="_blank" class="btn">HMDB38209</a></td><td class="ca">C15H24O</td><td class="ca">220.18271539</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.216538</td><td class="ca">0.026538</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33826" target="_blank" class="btn">HMDB33826</a></td><td class="ca">C15H24O</td><td class="ca">220.18271539</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.216538</td><td class="ca">0.026538</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB38123" target="_blank" class="btn">HMDB38123</a></td><td class="ca">C15H24O</td><td class="ca">220.18271539</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.216538</td><td class="ca">0.026538</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB38134" target="_blank" class="btn">HMDB38134</a></td><td class="ca">C15H24O</td><td class="ca">220.18271539</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.216538</td><td class="ca">0.026538</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB39532" target="_blank" class="btn">HMDB39532</a></td><td class="ca">C15H24O</td><td class="ca">220.18271539</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.216538</td><td class="ca">0.026538</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35718" target="_blank" class="btn">HMDB35718</a></td><td class="ca">C15H24O</td><td class="ca">220.18271539</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.216538</td><td class="ca">0.026538</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB38193" target="_blank" class="btn">HMDB38193</a></td><td class="ca">C15H24O</td><td class="ca">220.18271539</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.216538</td><td class="ca">0.026538</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB36717" target="_blank" class="btn">HMDB36717</a></td><td class="ca">C15H24O</td><td class="ca">220.18271539</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.216538</td><td class="ca">0.026538</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB38208" target="_blank" class="btn">HMDB38208</a></td><td class="ca">C15H24O</td><td class="ca">220.18271539</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.216538</td><td class="ca">0.026538</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB36788" target="_blank" class="btn">HMDB36788</a></td><td class="ca">C15H24O</td><td class="ca">220.18271539</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.216538</td><td class="ca">0.026538</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB38160" target="_blank" class="btn">HMDB38160</a></td><td class="ca">C15H24O</td><td class="ca">220.18271539</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.216538</td><td class="ca">0.026538</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35704" target="_blank" class="btn">HMDB35704</a></td><td class="ca">C15H24O</td><td class="ca">220.18271539</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.216538</td><td class="ca">0.026538</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB37069" target="_blank" class="btn">HMDB37069</a></td><td class="ca">C15H24O</td><td class="ca">220.18271539</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.216538</td><td class="ca">0.026538</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35026" target="_blank" class="btn">HMDB35026</a></td><td class="ca">C15H24O</td><td class="ca">220.18271539</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.216538</td><td class="ca">0.026538</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35793" target="_blank" class="btn">HMDB35793</a></td><td class="ca">C15H24O</td><td class="ca">220.18271539</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.216538</td><td class="ca">0.026538</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB38212" target="_blank" class="btn">HMDB38212</a></td><td class="ca">C15H24O</td><td class="ca">220.18271539</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.216538</td><td class="ca">0.026538</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35739" target="_blank" class="btn">HMDB35739</a></td><td class="ca">C15H24O</td><td class="ca">220.18271539</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.216538</td><td class="ca">0.026538</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB38146" target="_blank" class="btn">HMDB38146</a></td><td class="ca">C15H24O</td><td class="ca">220.18271539</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.216538</td><td class="ca">0.026538</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB36420" target="_blank" class="btn">HMDB36420</a></td><td class="ca">C15H24O</td><td class="ca">220.18271539</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.216538</td><td class="ca">0.026538</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB36798" target="_blank" class="btn">HMDB36798</a></td><td class="ca">C15H24O</td><td class="ca">220.18271539</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.216538</td><td class="ca">0.026538</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB36402" target="_blank" class="btn">HMDB36402</a></td><td class="ca">C15H24O</td><td class="ca">220.18271539</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.216538</td><td class="ca">0.026538</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB36192" target="_blank" class="btn">HMDB36192</a></td><td class="ca">C15H24O</td><td class="ca">220.18271539</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.216538</td><td class="ca">0.026538</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB38119" target="_blank" class="btn">HMDB38119</a></td><td class="ca">C15H24O</td><td class="ca">220.18271539</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.216538</td><td class="ca">0.026538</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB37275" target="_blank" class="btn">HMDB37275</a></td><td class="ca">C13H24O</td><td class="ca">196.18271539</td><td class="ca">M+ACN+H</td><td class="ca">+</td><td class="ca">238.216538</td><td class="ca">0.026538</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB38982" target="_blank" class="btn">HMDB38982</a></td><td class="ca">C15H24O</td><td class="ca">220.18271539</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.216538</td><td class="ca">0.026538</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB37392" target="_blank" class="btn">HMDB37392</a></td><td class="ca">C15H24O</td><td class="ca">220.18271539</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.216538</td><td class="ca">0.026538</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB60356" target="_blank" class="btn">HMDB60356</a></td><td class="ca">C15H24O</td><td class="ca">220.18271539</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.216538</td><td class="ca">0.026538</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB34718" target="_blank" class="btn">HMDB34718</a></td><td class="ca">C15H24O</td><td class="ca">220.18271539</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.216538</td><td class="ca">0.026538</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB34661" target="_blank" class="btn">HMDB34661</a></td><td class="ca">C15H24O</td><td class="ca">220.18271539</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.216538</td><td class="ca">0.026538</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB38211" target="_blank" class="btn">HMDB38211</a></td><td class="ca">C15H24O</td><td class="ca">220.18271539</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.216538</td><td class="ca">0.026538</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB41404" target="_blank" class="btn">HMDB41404</a></td><td class="ca">C13H24O</td><td class="ca">196.18271539</td><td class="ca">M+ACN+H</td><td class="ca">+</td><td class="ca">238.216538</td><td class="ca">0.026538</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB36716" target="_blank" class="btn">HMDB36716</a></td><td class="ca">C15H24O</td><td class="ca">220.18271539</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.216538</td><td class="ca">0.026538</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB38512" target="_blank" class="btn">HMDB38512</a></td><td class="ca">C15H24O</td><td class="ca">220.18271539</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.216538</td><td class="ca">0.026538</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35391" target="_blank" class="btn">HMDB35391</a></td><td class="ca">C15H24O</td><td class="ca">220.18271539</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.216538</td><td class="ca">0.026538</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB36172" target="_blank" class="btn">HMDB36172</a></td><td class="ca">C13H24O</td><td class="ca">196.18271539</td><td class="ca">M+ACN+H</td><td class="ca">+</td><td class="ca">238.216538</td><td class="ca">0.026538</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB38210" target="_blank" class="btn">HMDB38210</a></td><td class="ca">C15H24O</td><td class="ca">220.18271539</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.216538</td><td class="ca">0.026538</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB32220" target="_blank" class="btn">HMDB32220</a></td><td class="ca">C15H24O</td><td class="ca">220.18271539</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.216538</td><td class="ca">0.026538</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB32247" target="_blank" class="btn">HMDB32247</a></td><td class="ca">C13H24O</td><td class="ca">196.18271539</td><td class="ca">M+ACN+H</td><td class="ca">+</td><td class="ca">238.216538</td><td class="ca">0.026538</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB37811" target="_blank" class="btn">HMDB37811</a></td><td class="ca">C15H24O</td><td class="ca">220.18271539</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.216538</td><td class="ca">0.026538</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB13688" target="_blank" class="btn">HMDB13688</a></td><td class="ca">C15H24O</td><td class="ca">220.18271539</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.216538</td><td class="ca">0.026538</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB59836" target="_blank" class="btn">HMDB59836</a></td><td class="ca">C15H24O</td><td class="ca">220.18271539</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.216538</td><td class="ca">0.026538</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB60295" target="_blank" class="btn">HMDB60295</a></td><td class="ca">C15H24O</td><td class="ca">220.18271539</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.216538</td><td class="ca">0.026538</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00520" target="_blank" class="btn">HMDB00520</a></td><td class="ca">C27H48O4</td><td class="ca">436.355260024</td><td class="ca">M+H+K</td><td class="ca">+</td><td class="ca">238.162847</td><td class="ca">0.027153</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00524" target="_blank" class="btn">HMDB00524</a></td><td class="ca">C27H48O4</td><td class="ca">436.355260024</td><td class="ca">M+H+K</td><td class="ca">+</td><td class="ca">238.162847</td><td class="ca">0.027153</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00655" target="_blank" class="btn">HMDB00655</a></td><td class="ca">C27H48O4</td><td class="ca">436.355260024</td><td class="ca">M+H+K</td><td class="ca">+</td><td class="ca">238.162847</td><td class="ca">0.027153</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB01231" target="_blank" class="btn">HMDB01231</a></td><td class="ca">C27H48O4</td><td class="ca">436.355260024</td><td class="ca">M+H+K</td><td class="ca">+</td><td class="ca">238.162847</td><td class="ca">0.027153</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB01968" target="_blank" class="btn">HMDB01968</a></td><td class="ca">C27H48O4</td><td class="ca">436.355260024</td><td class="ca">M+H+K</td><td class="ca">+</td><td class="ca">238.162847</td><td class="ca">0.027153</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29851" target="_blank" class="btn">HMDB29851</a></td><td class="ca">C27H48O4</td><td class="ca">436.355260024</td><td class="ca">M+H+K</td><td class="ca">+</td><td class="ca">238.162847</td><td class="ca">0.027153</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35888" target="_blank" class="btn">HMDB35888</a></td><td class="ca">C30H44O3</td><td class="ca">452.329045274</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">238.16277</td><td class="ca">0.02723</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB37065" target="_blank" class="btn">HMDB37065</a></td><td class="ca">C30H44O3</td><td class="ca">452.329045274</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">238.16277</td><td class="ca">0.02723</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29993" target="_blank" class="btn">HMDB29993</a></td><td class="ca">C30H60O</td><td class="ca">436.464416542</td><td class="ca">M+H+K</td><td class="ca">+</td><td class="ca">238.217425</td><td class="ca">0.027425</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB30296" target="_blank" class="btn">HMDB30296</a></td><td class="ca">C30H60O</td><td class="ca">436.464416542</td><td class="ca">M+H+K</td><td class="ca">+</td><td class="ca">238.217425</td><td class="ca">0.027425</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB32868" target="_blank" class="btn">HMDB32868</a></td><td class="ca">C30H60O</td><td class="ca">436.464416542</td><td class="ca">M+H+K</td><td class="ca">+</td><td class="ca">238.217425</td><td class="ca">0.027425</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB60730" target="_blank" class="btn">HMDB60730</a></td><td class="ca">C23H36O5</td><td class="ca">392.256274262</td><td class="ca">M+2ACN+2H</td><td class="ca">+</td><td class="ca">238.16196</td><td class="ca">0.02804</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB12166" target="_blank" class="btn">HMDB12166</a></td><td class="ca">C28H46O3</td><td class="ca">430.344695338</td><td class="ca">M+2Na</td><td class="ca">+</td><td class="ca">238.161566</td><td class="ca">0.028434</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB37914" target="_blank" class="btn">HMDB37914</a></td><td class="ca">C28H46O3</td><td class="ca">430.344695338</td><td class="ca">M+2Na</td><td class="ca">+</td><td class="ca">238.161566</td><td class="ca">0.028434</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB38353" target="_blank" class="btn">HMDB38353</a></td><td class="ca">C28H46O3</td><td class="ca">430.344695338</td><td class="ca">M+2Na</td><td class="ca">+</td><td class="ca">238.161566</td><td class="ca">0.028434</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35513" target="_blank" class="btn">HMDB35513</a></td><td class="ca">C28H46O3</td><td class="ca">430.344695338</td><td class="ca">M+2Na</td><td class="ca">+</td><td class="ca">238.161566</td><td class="ca">0.028434</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB10701" target="_blank" class="btn">HMDB10701</a></td><td class="ca">C36H72NO6P</td><td class="ca">645.509725553</td><td class="ca">M+3Na</td><td class="ca">+</td><td class="ca">238.159127</td><td class="ca">0.030873</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB38163" target="_blank" class="btn">HMDB38163</a></td><td class="ca">C15H16</td><td class="ca">196.125200512</td><td class="ca">M+ACN+H</td><td class="ca">+</td><td class="ca">238.159024</td><td class="ca">0.030976</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB32564" target="_blank" class="btn">HMDB32564</a></td><td class="ca">C15H16</td><td class="ca">196.125200512</td><td class="ca">M+ACN+H</td><td class="ca">+</td><td class="ca">238.159024</td><td class="ca">0.030976</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB38162" target="_blank" class="btn">HMDB38162</a></td><td class="ca">C15H16</td><td class="ca">196.125200512</td><td class="ca">M+ACN+H</td><td class="ca">+</td><td class="ca">238.159024</td><td class="ca">0.030976</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB14647" target="_blank" class="btn">HMDB14647</a></td><td class="ca">C19H25NO</td><td class="ca">283.193614427</td><td class="ca">M+2Na+H</td><td class="ca">+</td><td class="ca">238.222454</td><td class="ca">0.032454</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB13972" target="_blank" class="btn">HMDB13972</a></td><td class="ca">C19H25NO</td><td class="ca">283.193614427</td><td class="ca">M+2Na+H</td><td class="ca">+</td><td class="ca">238.222454</td><td class="ca">0.032454</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB28799" target="_blank" class="btn">HMDB28799</a></td><td class="ca">C11H17N5O4</td><td class="ca">283.128054057</td><td class="ca">M+2Na+H</td><td class="ca">+</td><td class="ca">238.156894</td><td class="ca">0.033106</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29151" target="_blank" class="btn">HMDB29151</a></td><td class="ca">C11H17N5O4</td><td class="ca">283.128054057</td><td class="ca">M+2Na+H</td><td class="ca">+</td><td class="ca">238.156894</td><td class="ca">0.033106</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB28883" target="_blank" class="btn">HMDB28883</a></td><td class="ca">C11H17N5O4</td><td class="ca">283.128054057</td><td class="ca">M+2Na+H</td><td class="ca">+</td><td class="ca">238.156894</td><td class="ca">0.033106</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB28899" target="_blank" class="btn">HMDB28899</a></td><td class="ca">C11H17N5O4</td><td class="ca">283.128054057</td><td class="ca">M+2Na+H</td><td class="ca">+</td><td class="ca">238.156894</td><td class="ca">0.033106</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB15508" target="_blank" class="btn">HMDB15508</a></td><td class="ca">C15H21N</td><td class="ca">215.167399677</td><td class="ca">M+Na</td><td class="ca">+</td><td class="ca">238.156618</td><td class="ca">0.033382</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB36683" target="_blank" class="btn">HMDB36683</a></td><td class="ca">C13H18</td><td class="ca">174.140850576</td><td class="ca">M+ACN+Na</td><td class="ca">+</td><td class="ca">238.156616</td><td class="ca">0.033384</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB59826" target="_blank" class="btn">HMDB59826</a></td><td class="ca">C13H18</td><td class="ca">174.140850576</td><td class="ca">M+ACN+Na</td><td class="ca">+</td><td class="ca">238.156616</td><td class="ca">0.033384</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB59696" target="_blank" class="btn">HMDB59696</a></td><td class="ca">C13H18</td><td class="ca">174.140850576</td><td class="ca">M+ACN+Na</td><td class="ca">+</td><td class="ca">238.156616</td><td class="ca">0.033384</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB61824" target="_blank" class="btn">HMDB61824</a></td><td class="ca">C13H18</td><td class="ca">174.140850576</td><td class="ca">M+ACN+Na</td><td class="ca">+</td><td class="ca">238.156616</td><td class="ca">0.033384</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB30085" target="_blank" class="btn">HMDB30085</a></td><td class="ca">C28H42O6</td><td class="ca">474.298139076</td><td class="ca">M+2H</td><td class="ca">+</td><td class="ca">238.156346</td><td class="ca">0.033654</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB60061" target="_blank" class="btn">HMDB60061</a></td><td class="ca">C16H34NO5P</td><td class="ca">351.217459715</td><td class="ca">M+3ACN+2H</td><td class="ca">+</td><td class="ca">238.155827</td><td class="ca">0.034173</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB41940" target="_blank" class="btn">HMDB41940</a></td><td class="ca">C9H11N3O</td><td class="ca">177.090211989</td><td class="ca">M+IsoProp+H</td><td class="ca">+</td><td class="ca">238.155552</td><td class="ca">0.034448</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29741" target="_blank" class="btn">HMDB29741</a></td><td class="ca">C10H16N2O2</td><td class="ca">196.121177766</td><td class="ca">M+ACN+H</td><td class="ca">+</td><td class="ca">238.155001</td><td class="ca">0.034999</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB40551" target="_blank" class="btn">HMDB40551</a></td><td class="ca">C10H16N2O2</td><td class="ca">196.121177766</td><td class="ca">M+ACN+H</td><td class="ca">+</td><td class="ca">238.155001</td><td class="ca">0.034999</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB30353" target="_blank" class="btn">HMDB30353</a></td><td class="ca">C8H13NO2</td><td class="ca">155.094628665</td><td class="ca">M+2ACN+H</td><td class="ca">+</td><td class="ca">238.154999</td><td class="ca">0.035001</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB62098" target="_blank" class="btn">HMDB62098</a></td><td class="ca">C8H13NO2</td><td class="ca">155.094628663</td><td class="ca">M+2ACN+H</td><td class="ca">+</td><td class="ca">238.154999</td><td class="ca">0.035001</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31659" target="_blank" class="btn">HMDB31659</a></td><td class="ca">C5H13N</td><td class="ca">87.104799421</td><td class="ca">2M+ACN+Na</td><td class="ca">+</td><td class="ca">238.225364</td><td class="ca">0.035364</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB32392" target="_blank" class="btn">HMDB32392</a></td><td class="ca">C5H13N</td><td class="ca">87.104799421</td><td class="ca">2M+ACN+Na</td><td class="ca">+</td><td class="ca">238.225364</td><td class="ca">0.035364</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31202" target="_blank" class="btn">HMDB31202</a></td><td class="ca">C12H29N3</td><td class="ca">215.236147943</td><td class="ca">M+Na</td><td class="ca">+</td><td class="ca">238.225366</td><td class="ca">0.035366</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35135" target="_blank" class="btn">HMDB35135</a></td><td class="ca">C9H14O2</td><td class="ca">154.099379692</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.15449</td><td class="ca">0.03551</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB38697" target="_blank" class="btn">HMDB38697</a></td><td class="ca">C9H14O2</td><td class="ca">154.099379692</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.15449</td><td class="ca">0.03551</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB38268" target="_blank" class="btn">HMDB38268</a></td><td class="ca">C9H14O2</td><td class="ca">154.099379692</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.15449</td><td class="ca">0.03551</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31302" target="_blank" class="btn">HMDB31302</a></td><td class="ca">C9H14O2</td><td class="ca">154.099379692</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.15449</td><td class="ca">0.03551</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB37276" target="_blank" class="btn">HMDB37276</a></td><td class="ca">C9H14O2</td><td class="ca">154.099379692</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.15449</td><td class="ca">0.03551</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB36177" target="_blank" class="btn">HMDB36177</a></td><td class="ca">C9H14O2</td><td class="ca">154.099379692</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.15449</td><td class="ca">0.03551</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB36239" target="_blank" class="btn">HMDB36239</a></td><td class="ca">C9H14O2</td><td class="ca">154.099379692</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.15449</td><td class="ca">0.03551</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB40285" target="_blank" class="btn">HMDB40285</a></td><td class="ca">C9H14O2</td><td class="ca">154.099379692</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.15449</td><td class="ca">0.03551</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB32314" target="_blank" class="btn">HMDB32314</a></td><td class="ca">C9H14O2</td><td class="ca">154.099379692</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.15449</td><td class="ca">0.03551</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB32442" target="_blank" class="btn">HMDB32442</a></td><td class="ca">C9H14O2</td><td class="ca">154.099379692</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.15449</td><td class="ca">0.03551</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB60285" target="_blank" class="btn">HMDB60285</a></td><td class="ca">C9H14O2</td><td class="ca">154.099379692</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.15449</td><td class="ca">0.03551</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29888" target="_blank" class="btn">HMDB29888</a></td><td class="ca">C24H46O6</td><td class="ca">430.329439204</td><td class="ca">M+2Na</td><td class="ca">+</td><td class="ca">238.153938</td><td class="ca">0.036062</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29551" target="_blank" class="btn">HMDB29551</a></td><td class="ca">C11H22</td><td class="ca">154.172150704</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.227261</td><td class="ca">0.037261</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31205" target="_blank" class="btn">HMDB31205</a></td><td class="ca">C11H22</td><td class="ca">154.172150704</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.227261</td><td class="ca">0.037261</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB61812" target="_blank" class="btn">HMDB61812</a></td><td class="ca">C11H22</td><td class="ca">154.172150704</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.227261</td><td class="ca">0.037261</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB62070" target="_blank" class="btn">HMDB62070</a></td><td class="ca">C11H22</td><td class="ca">154.172150708</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.227261</td><td class="ca">0.037261</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB60817" target="_blank" class="btn">HMDB60817</a></td><td class="ca">C10H21N3O2</td><td class="ca">215.163376931</td><td class="ca">M+Na</td><td class="ca">+</td><td class="ca">238.152595</td><td class="ca">0.037405</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33870" target="_blank" class="btn">HMDB33870</a></td><td class="ca">C4H9NO</td><td class="ca">87.068413915</td><td class="ca">2M+ACN+Na</td><td class="ca">+</td><td class="ca">238.152593</td><td class="ca">0.037407</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB01080" target="_blank" class="btn">HMDB01080</a></td><td class="ca">C4H9NO</td><td class="ca">87.068413915</td><td class="ca">2M+ACN+Na</td><td class="ca">+</td><td class="ca">238.152593</td><td class="ca">0.037407</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB60247" target="_blank" class="btn">HMDB60247</a></td><td class="ca">C4H9NO</td><td class="ca">87.068413915</td><td class="ca">2M+ACN+Na</td><td class="ca">+</td><td class="ca">238.152593</td><td class="ca">0.037407</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31581" target="_blank" class="btn">HMDB31581</a></td><td class="ca">C4H9NO</td><td class="ca">87.068413915</td><td class="ca">2M+ACN+Na</td><td class="ca">+</td><td class="ca">238.152593</td><td class="ca">0.037407</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31215" target="_blank" class="btn">HMDB31215</a></td><td class="ca">C4H9NO</td><td class="ca">87.068413915</td><td class="ca">2M+ACN+Na</td><td class="ca">+</td><td class="ca">238.152593</td><td class="ca">0.037407</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB13287" target="_blank" class="btn">HMDB13287</a></td><td class="ca">C8H18N2O2</td><td class="ca">174.13682783</td><td class="ca">M+ACN+Na</td><td class="ca">+</td><td class="ca">238.152593</td><td class="ca">0.037407</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB04649" target="_blank" class="btn">HMDB04649</a></td><td class="ca">C30H44O2</td><td class="ca">436.334130652</td><td class="ca">M+H+K</td><td class="ca">+</td><td class="ca">238.152282</td><td class="ca">0.037718</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35983" target="_blank" class="btn">HMDB35983</a></td><td class="ca">C30H44O2</td><td class="ca">436.334130652</td><td class="ca">M+H+K</td><td class="ca">+</td><td class="ca">238.152282</td><td class="ca">0.037718</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB30395" target="_blank" class="btn">HMDB30395</a></td><td class="ca">C30H44O2</td><td class="ca">436.334130652</td><td class="ca">M+H+K</td><td class="ca">+</td><td class="ca">238.152282</td><td class="ca">0.037718</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB15659" target="_blank" class="btn">HMDB15659</a></td><td class="ca">C10H21N</td><td class="ca">155.167399677</td><td class="ca">M+2ACN+H</td><td class="ca">+</td><td class="ca">238.22777</td><td class="ca">0.03777</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB32350" target="_blank" class="btn">HMDB32350</a></td><td class="ca">C10H21N</td><td class="ca">155.167399677</td><td class="ca">M+2ACN+H</td><td class="ca">+</td><td class="ca">238.22777</td><td class="ca">0.03777</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29987" target="_blank" class="btn">HMDB29987</a></td><td class="ca">C30H60O2</td><td class="ca">452.459331164</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">238.227913</td><td class="ca">0.037913</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB30925" target="_blank" class="btn">HMDB30925</a></td><td class="ca">C30H60O2</td><td class="ca">452.459331164</td><td class="ca">M+H+Na</td><td class="ca">+</td><td class="ca">238.227913</td><td class="ca">0.037913</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31977" target="_blank" class="btn">HMDB31977</a></td><td class="ca">C26H32O3</td><td class="ca">392.23514489</td><td class="ca">M+2ACN+2H</td><td class="ca">+</td><td class="ca">238.151395</td><td class="ca">0.038605</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35640" target="_blank" class="btn">HMDB35640</a></td><td class="ca">C31H42O</td><td class="ca">430.323565966</td><td class="ca">M+2Na</td><td class="ca">+</td><td class="ca">238.151001</td><td class="ca">0.038999</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB07003" target="_blank" class="btn">HMDB07003</a></td><td class="ca">C19H37O6P</td><td class="ca">392.232775428</td><td class="ca">M+2ACN+2H</td><td class="ca">+</td><td class="ca">238.150211</td><td class="ca">0.039789</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB02372" target="_blank" class="btn">HMDB02372</a></td><td class="ca">C17H17NO3</td><td class="ca">283.120843415</td><td class="ca">M+2Na+H</td><td class="ca">+</td><td class="ca">238.149683</td><td class="ca">0.040317</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB03563" target="_blank" class="btn">HMDB03563</a></td><td class="ca">C17H17NO3</td><td class="ca">283.120843415</td><td class="ca">M+2Na+H</td><td class="ca">+</td><td class="ca">238.149683</td><td class="ca">0.040317</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB30191" target="_blank" class="btn">HMDB30191</a></td><td class="ca">C17H17NO3</td><td class="ca">283.120843415</td><td class="ca">M+2Na+H</td><td class="ca">+</td><td class="ca">238.149683</td><td class="ca">0.040317</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB39521" target="_blank" class="btn">HMDB39521</a></td><td class="ca">C17H17NO3</td><td class="ca">283.120843415</td><td class="ca">M+2Na+H</td><td class="ca">+</td><td class="ca">238.149683</td><td class="ca">0.040317</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB34669" target="_blank" class="btn">HMDB34669</a></td><td class="ca">C17H17NO3</td><td class="ca">283.120843415</td><td class="ca">M+2Na+H</td><td class="ca">+</td><td class="ca">238.149683</td><td class="ca">0.040317</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB32845" target="_blank" class="btn">HMDB32845</a></td><td class="ca">C17H17NO3</td><td class="ca">283.120843415</td><td class="ca">M+2Na+H</td><td class="ca">+</td><td class="ca">238.149683</td><td class="ca">0.040317</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB14592" target="_blank" class="btn">HMDB14592</a></td><td class="ca">C19H29NO5</td><td class="ca">351.204573043</td><td class="ca">M+3ACN+2H</td><td class="ca">+</td><td class="ca">238.149384</td><td class="ca">0.040616</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35472" target="_blank" class="btn">HMDB35472</a></td><td class="ca">C44H89NO5</td><td class="ca">711.674074963</td><td class="ca">M+3H</td><td class="ca">+</td><td class="ca">238.231968</td><td class="ca">0.041968</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB14375" target="_blank" class="btn">HMDB14375</a></td><td class="ca">C8H17NO2</td><td class="ca">159.125928793</td><td class="ca">M+DMSO+H</td><td class="ca">+</td><td class="ca">238.147149</td><td class="ca">0.042851</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00991" target="_blank" class="btn">HMDB00991</a></td><td class="ca">C8H17NO2</td><td class="ca">159.125928793</td><td class="ca">M+DMSO+H</td><td class="ca">+</td><td class="ca">238.147149</td><td class="ca">0.042851</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB59796" target="_blank" class="btn">HMDB59796</a></td><td class="ca">C29H57N5O12</td><td class="ca">667.400372313</td><td class="ca">M+H+2Na</td><td class="ca">+</td><td class="ca">238.232981</td><td class="ca">0.042981</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB08883" target="_blank" class="btn">HMDB08883</a></td><td class="ca">C35H68NO7P</td><td class="ca">645.473340047</td><td class="ca">M+3Na</td><td class="ca">+</td><td class="ca">238.146998</td><td class="ca">0.043002</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB11336" target="_blank" class="btn">HMDB11336</a></td><td class="ca">C35H68NO7P</td><td class="ca">645.473340047</td><td class="ca">M+3Na</td><td class="ca">+</td><td class="ca">238.146998</td><td class="ca">0.043002</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB12501" target="_blank" class="btn">HMDB12501</a></td><td class="ca">C23H39NO6S</td><td class="ca">457.249808675</td><td class="ca">M+H+NH4</td><td class="ca">+</td><td class="ca">238.145454</td><td class="ca">0.044546</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29802" target="_blank" class="btn">HMDB29802</a></td><td class="ca">C27H52O</td><td class="ca">392.401816286</td><td class="ca">M+2ACN+2H</td><td class="ca">+</td><td class="ca">238.234731</td><td class="ca">0.044731</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB14354" target="_blank" class="btn">HMDB14354</a></td><td class="ca">C25H30NO3</td><td class="ca">392.222568831</td><td class="ca">M+2ACN+2H</td><td class="ca">+</td><td class="ca">238.145107</td><td class="ca">0.044893</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB02195" target="_blank" class="btn">HMDB02195</a></td><td class="ca">C26H44O5</td><td class="ca">436.318874518</td><td class="ca">M+H+K</td><td class="ca">+</td><td class="ca">238.144654</td><td class="ca">0.045346</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB30092" target="_blank" class="btn">HMDB30092</a></td><td class="ca">C31H64</td><td class="ca">436.500802048</td><td class="ca">M+H+K</td><td class="ca">+</td><td class="ca">238.235618</td><td class="ca">0.045618</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB01855" target="_blank" class="btn">HMDB01855</a></td><td class="ca">C10H11NO2</td><td class="ca">177.078978601</td><td class="ca">M+IsoProp+H</td><td class="ca">+</td><td class="ca">238.144319</td><td class="ca">0.045681</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33482" target="_blank" class="btn">HMDB33482</a></td><td class="ca">C10H11NO2</td><td class="ca">177.078978601</td><td class="ca">M+IsoProp+H</td><td class="ca">+</td><td class="ca">238.144319</td><td class="ca">0.045681</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB37693" target="_blank" class="btn">HMDB37693</a></td><td class="ca">C10H11NO2</td><td class="ca">177.078978601</td><td class="ca">M+IsoProp+H</td><td class="ca">+</td><td class="ca">238.144319</td><td class="ca">0.045681</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB40045" target="_blank" class="btn">HMDB40045</a></td><td class="ca">C10H11NO2</td><td class="ca">177.078978601</td><td class="ca">M+IsoProp+H</td><td class="ca">+</td><td class="ca">238.144319</td><td class="ca">0.045681</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB12490" target="_blank" class="btn">HMDB12490</a></td><td class="ca">C10H11NO2</td><td class="ca">177.078978601</td><td class="ca">M+IsoProp+H</td><td class="ca">+</td><td class="ca">238.144319</td><td class="ca">0.045681</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB60063" target="_blank" class="btn">HMDB60063</a></td><td class="ca">C10H11NO2</td><td class="ca">177.078978601</td><td class="ca">M+IsoProp+H</td><td class="ca">+</td><td class="ca">238.144319</td><td class="ca">0.045681</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB40046" target="_blank" class="btn">HMDB40046</a></td><td class="ca">C12H15NO2</td><td class="ca">205.110278729</td><td class="ca">M+CH3OH+H</td><td class="ca">+</td><td class="ca">238.143768</td><td class="ca">0.046232</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB32589" target="_blank" class="btn">HMDB32589</a></td><td class="ca">C13H16O3</td><td class="ca">220.109944378</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.143767</td><td class="ca">0.046233</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB36226" target="_blank" class="btn">HMDB36226</a></td><td class="ca">C11H16O3</td><td class="ca">196.109944378</td><td class="ca">M+ACN+H</td><td class="ca">+</td><td class="ca">238.143767</td><td class="ca">0.046233</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB37734" target="_blank" class="btn">HMDB37734</a></td><td class="ca">C11H16O3</td><td class="ca">196.109944378</td><td class="ca">M+ACN+H</td><td class="ca">+</td><td class="ca">238.143767</td><td class="ca">0.046233</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB37492" target="_blank" class="btn">HMDB37492</a></td><td class="ca">C13H16O3</td><td class="ca">220.109944378</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.143767</td><td class="ca">0.046233</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB40424" target="_blank" class="btn">HMDB40424</a></td><td class="ca">C13H16O3</td><td class="ca">220.109944378</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.143767</td><td class="ca">0.046233</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB34662" target="_blank" class="btn">HMDB34662</a></td><td class="ca">C22H32O6</td><td class="ca">392.219888756</td><td class="ca">M+2ACN+2H</td><td class="ca">+</td><td class="ca">238.143767</td><td class="ca">0.046233</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB37725" target="_blank" class="btn">HMDB37725</a></td><td class="ca">C11H16O3</td><td class="ca">196.109944378</td><td class="ca">M+ACN+H</td><td class="ca">+</td><td class="ca">238.143767</td><td class="ca">0.046233</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB61823" target="_blank" class="btn">HMDB61823</a></td><td class="ca">C13H16O3</td><td class="ca">220.109944378</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.143767</td><td class="ca">0.046233</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB61942" target="_blank" class="btn">HMDB61942</a></td><td class="ca">C13H16O3</td><td class="ca">220.109944378</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">238.143767</td><td class="ca">0.046233</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB11560" target="_blank" class="btn">HMDB11560</a></td><td class="ca">C27H42O4</td><td class="ca">430.308309832</td><td class="ca">M+2Na</td><td class="ca">+</td><td class="ca">238.143373</td><td class="ca">0.046627</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB11590" target="_blank" class="btn">HMDB11590</a></td><td class="ca">C27H42O4</td><td class="ca">430.308309832</td><td class="ca">M+2Na</td><td class="ca">+</td><td class="ca">238.143373</td><td class="ca">0.046627</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB12458" target="_blank" class="btn">HMDB12458</a></td><td class="ca">C27H42O4</td><td class="ca">430.308309832</td><td class="ca">M+2Na</td><td class="ca">+</td><td class="ca">238.143373</td><td class="ca">0.046627</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB34403" target="_blank" class="btn">HMDB34403</a></td><td class="ca">C27H42O4</td><td class="ca">430.308309832</td><td class="ca">M+2Na</td><td class="ca">+</td><td class="ca">238.143373</td><td class="ca">0.046627</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB36249" target="_blank" class="btn">HMDB36249</a></td><td class="ca">C27H42O4</td><td class="ca">430.308309832</td><td class="ca">M+2Na</td><td class="ca">+</td><td class="ca">238.143373</td><td class="ca">0.046627</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB30066" target="_blank" class="btn">HMDB30066</a></td><td class="ca">C27H42O4</td><td class="ca">430.308309832</td><td class="ca">M+2Na</td><td class="ca">+</td><td class="ca">238.143373</td><td class="ca">0.046627</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB60127" target="_blank" class="btn">HMDB60127</a></td><td class="ca">C27H42O4</td><td class="ca">430.308309832</td><td class="ca">M+2Na</td><td class="ca">+</td><td class="ca">238.143373</td><td class="ca">0.046627</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB60128" target="_blank" class="btn">HMDB60128</a></td><td class="ca">C27H42O4</td><td class="ca">430.308309832</td><td class="ca">M+2Na</td><td class="ca">+</td><td class="ca">238.143373</td><td class="ca">0.046627</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB13279" target="_blank" class="btn">HMDB13279</a></td><td class="ca">C11H21NO3</td><td class="ca">215.152143543</td><td class="ca">M+Na</td><td class="ca">+</td><td class="ca">238.141362</td><td class="ca">0.048638</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB34040" target="_blank" class="btn">HMDB34040</a></td><td class="ca">C9H18O3</td><td class="ca">174.125594442</td><td class="ca">M+ACN+Na</td><td class="ca">+</td><td class="ca">238.141359</td><td class="ca">0.048641</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31513" target="_blank" class="btn">HMDB31513</a></td><td class="ca">C9H18O3</td><td class="ca">174.125594442</td><td class="ca">M+ACN+Na</td><td class="ca">+</td><td class="ca">238.141359</td><td class="ca">0.048641</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB41818" target="_blank" class="btn">HMDB41818</a></td><td class="ca">C16H14FN3O</td><td class="ca">283.11209029</td><td class="ca">M+2Na+H</td><td class="ca">+</td><td class="ca">238.14093</td><td class="ca">0.04907</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB12271" target="_blank" class="btn">HMDB12271</a></td><td class="ca">C5H11N3O4</td><td class="ca">177.074955855</td><td class="ca">M+IsoProp+H</td><td class="ca">+</td><td class="ca">238.140296</td><td class="ca">0.049704</td></tr><tr class="white"><td class="ca" >mz_00003</td><td id="3" class="ca" >420.16</td><td class="ca" colspan="7"></td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB60836" target="_blank" class="btn">HMDB60836</a></td><td class="ca">C17H17N3O4S</td><td class="ca">359.093976737</td><td class="ca">M+IsoProp+H</td><td class="ca">+</td><td class="ca">420.159317</td><td class="ca">0.000683</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB60838" target="_blank" class="btn">HMDB60838</a></td><td class="ca">C17H17N3O4S</td><td class="ca">359.093976737</td><td class="ca">M+IsoProp+H</td><td class="ca">+</td><td class="ca">420.159317</td><td class="ca">0.000683</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33374" target="_blank" class="btn">HMDB33374</a></td><td class="ca">C16H19NO5S</td><td class="ca">337.098393413</td><td class="ca">M+2ACN+H</td><td class="ca">+</td><td class="ca">420.158763</td><td class="ca">0.001237</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00590" target="_blank" class="btn">HMDB00590</a></td><td class="ca">C7H11NO5</td><td class="ca">189.063722467</td><td class="ca">2M+ACN+H</td><td class="ca">+</td><td class="ca">420.161268</td><td class="ca">0.001268</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB01138" target="_blank" class="btn">HMDB01138</a></td><td class="ca">C7H11NO5</td><td class="ca">189.063722467</td><td class="ca">2M+ACN+H</td><td class="ca">+</td><td class="ca">420.161268</td><td class="ca">0.001268</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB14535" target="_blank" class="btn">HMDB14535</a></td><td class="ca">C15H23N3O4S</td><td class="ca">341.140926929</td><td class="ca">M+DMSO+H</td><td class="ca">+</td><td class="ca">420.162147</td><td class="ca">0.002147</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB15135" target="_blank" class="btn">HMDB15135</a></td><td class="ca">C15H23N3O4S</td><td class="ca">341.140926929</td><td class="ca">M+DMSO+H</td><td class="ca">+</td><td class="ca">420.162147</td><td class="ca">0.002147</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB30384" target="_blank" class="btn">HMDB30384</a></td><td class="ca">C19H18ClNO4</td><td class="ca">359.092435776</td><td class="ca">M+IsoProp+H</td><td class="ca">+</td><td class="ca">420.157776</td><td class="ca">0.002224</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB36989" target="_blank" class="btn">HMDB36989</a></td><td class="ca">C19H18ClNO4</td><td class="ca">359.092435776</td><td class="ca">M+IsoProp+H</td><td class="ca">+</td><td class="ca">420.157776</td><td class="ca">0.002224</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB30189" target="_blank" class="btn">HMDB30189</a></td><td class="ca">C19H18ClNO4</td><td class="ca">359.092435776</td><td class="ca">M+IsoProp+H</td><td class="ca">+</td><td class="ca">420.157776</td><td class="ca">0.002224</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB40341" target="_blank" class="btn">HMDB40341</a></td><td class="ca">C34H44O19</td><td class="ca">756.247679226</td><td class="ca">M+2ACN+2H</td><td class="ca">+</td><td class="ca">420.157663</td><td class="ca">0.002337</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB40372" target="_blank" class="btn">HMDB40372</a></td><td class="ca">C34H44O19</td><td class="ca">756.247679226</td><td class="ca">M+2ACN+2H</td><td class="ca">+</td><td class="ca">420.157663</td><td class="ca">0.002337</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31695" target="_blank" class="btn">HMDB31695</a></td><td class="ca">C17H24O8</td><td class="ca">356.147117744</td><td class="ca">M+ACN+Na</td><td class="ca">+</td><td class="ca">420.162883</td><td class="ca">0.002883</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB40558" target="_blank" class="btn">HMDB40558</a></td><td class="ca">C17H24O8</td><td class="ca">356.147117744</td><td class="ca">M+ACN+Na</td><td class="ca">+</td><td class="ca">420.162883</td><td class="ca">0.002883</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31574" target="_blank" class="btn">HMDB31574</a></td><td class="ca">C8H15NS2</td><td class="ca">189.064590865</td><td class="ca">2M+ACN+H</td><td class="ca">+</td><td class="ca">420.163005</td><td class="ca">0.003005</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB32499" target="_blank" class="btn">HMDB32499</a></td><td class="ca">C8H15NS2</td><td class="ca">189.064590865</td><td class="ca">2M+ACN+H</td><td class="ca">+</td><td class="ca">420.163005</td><td class="ca">0.003005</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB15253" target="_blank" class="btn">HMDB15253</a></td><td class="ca">C9H10N2O2</td><td class="ca">178.074227574</td><td class="ca">2M+ACN+Na</td><td class="ca">+</td><td class="ca">420.16422</td><td class="ca">0.00422</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB01267" target="_blank" class="btn">HMDB01267</a></td><td class="ca">C9H10N2O2</td><td class="ca">178.074227574</td><td class="ca">2M+ACN+Na</td><td class="ca">+</td><td class="ca">420.16422</td><td class="ca">0.00422</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB04145" target="_blank" class="btn">HMDB04145</a></td><td class="ca">C9H10N2O2</td><td class="ca">178.074227574</td><td class="ca">2M+ACN+Na</td><td class="ca">+</td><td class="ca">420.16422</td><td class="ca">0.00422</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB04146" target="_blank" class="btn">HMDB04146</a></td><td class="ca">C9H10N2O2</td><td class="ca">178.074227574</td><td class="ca">2M+ACN+Na</td><td class="ca">+</td><td class="ca">420.16422</td><td class="ca">0.00422</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB41452" target="_blank" class="btn">HMDB41452</a></td><td class="ca">C20H16O5</td><td class="ca">336.099773622</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">420.154884</td><td class="ca">0.005116</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29533" target="_blank" class="btn">HMDB29533</a></td><td class="ca">C20H16O5</td><td class="ca">336.099773622</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">420.154884</td><td class="ca">0.005116</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB30141" target="_blank" class="btn">HMDB30141</a></td><td class="ca">C20H16O5</td><td class="ca">336.099773622</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">420.154884</td><td class="ca">0.005116</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB34027" target="_blank" class="btn">HMDB34027</a></td><td class="ca">C20H16O5</td><td class="ca">336.099773622</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">420.154884</td><td class="ca">0.005116</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB30450" target="_blank" class="btn">HMDB30450</a></td><td class="ca">C20H16O5</td><td class="ca">336.099773622</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">420.154884</td><td class="ca">0.005116</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB37922" target="_blank" class="btn">HMDB37922</a></td><td class="ca">C20H16O5</td><td class="ca">336.099773622</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">420.154884</td><td class="ca">0.005116</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29791" target="_blank" class="btn">HMDB29791</a></td><td class="ca">C20H16O5</td><td class="ca">336.099773622</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">420.154884</td><td class="ca">0.005116</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29787" target="_blank" class="btn">HMDB29787</a></td><td class="ca">C20H16O5</td><td class="ca">336.099773622</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">420.154884</td><td class="ca">0.005116</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB34050" target="_blank" class="btn">HMDB34050</a></td><td class="ca">C20H16O5</td><td class="ca">336.099773622</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">420.154884</td><td class="ca">0.005116</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB04662" target="_blank" class="btn">HMDB04662</a></td><td class="ca">C11H19N3O7S</td><td class="ca">337.094370667</td><td class="ca">M+2ACN+H</td><td class="ca">+</td><td class="ca">420.154741</td><td class="ca">0.005259</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB39733" target="_blank" class="btn">HMDB39733</a></td><td class="ca">C11H19N3O7S</td><td class="ca">337.094370667</td><td class="ca">M+2ACN+H</td><td class="ca">+</td><td class="ca">420.154741</td><td class="ca">0.005259</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31401" target="_blank" class="btn">HMDB31401</a></td><td class="ca">C20H21NO7</td><td class="ca">387.131802031</td><td class="ca">M+CH3OH+H</td><td class="ca">+</td><td class="ca">420.165291</td><td class="ca">0.005291</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35415" target="_blank" class="btn">HMDB35415</a></td><td class="ca">C21H22O8</td><td class="ca">402.13146768</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">420.165291</td><td class="ca">0.005291</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB39137" target="_blank" class="btn">HMDB39137</a></td><td class="ca">C19H22O8</td><td class="ca">378.13146768</td><td class="ca">M+ACN+H</td><td class="ca">+</td><td class="ca">420.165291</td><td class="ca">0.005291</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35037" target="_blank" class="btn">HMDB35037</a></td><td class="ca">C19H22O8</td><td class="ca">378.13146768</td><td class="ca">M+ACN+H</td><td class="ca">+</td><td class="ca">420.165291</td><td class="ca">0.005291</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29308" target="_blank" class="btn">HMDB29308</a></td><td class="ca">C21H22O8</td><td class="ca">402.13146768</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">420.165291</td><td class="ca">0.005291</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB37755" target="_blank" class="btn">HMDB37755</a></td><td class="ca">C21H22O8</td><td class="ca">402.13146768</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">420.165291</td><td class="ca">0.005291</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB39379" target="_blank" class="btn">HMDB39379</a></td><td class="ca">C21H22O8</td><td class="ca">402.13146768</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">420.165291</td><td class="ca">0.005291</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29540" target="_blank" class="btn">HMDB29540</a></td><td class="ca">C21H22O8</td><td class="ca">402.13146768</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">420.165291</td><td class="ca">0.005291</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29304" target="_blank" class="btn">HMDB29304</a></td><td class="ca">C19H22O8</td><td class="ca">378.13146768</td><td class="ca">M+ACN+H</td><td class="ca">+</td><td class="ca">420.165291</td><td class="ca">0.005291</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33211" target="_blank" class="btn">HMDB33211</a></td><td class="ca">C18H17NO7</td><td class="ca">359.100501903</td><td class="ca">M+IsoProp+H</td><td class="ca">+</td><td class="ca">420.165842</td><td class="ca">0.005842</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB39157" target="_blank" class="btn">HMDB39157</a></td><td class="ca">C18H17NO7</td><td class="ca">359.100501903</td><td class="ca">M+IsoProp+H</td><td class="ca">+</td><td class="ca">420.165842</td><td class="ca">0.005842</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29286" target="_blank" class="btn">HMDB29286</a></td><td class="ca">C18H17NO7</td><td class="ca">359.100501903</td><td class="ca">M+IsoProp+H</td><td class="ca">+</td><td class="ca">420.165842</td><td class="ca">0.005842</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB06591" target="_blank" class="btn">HMDB06591</a></td><td class="ca">C12H23NO10</td><td class="ca">341.132195961</td><td class="ca">M+DMSO+H</td><td class="ca">+</td><td class="ca">420.153416</td><td class="ca">0.006584</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB11668" target="_blank" class="btn">HMDB11668</a></td><td class="ca">C12H23NO10</td><td class="ca">341.132195961</td><td class="ca">M+DMSO+H</td><td class="ca">+</td><td class="ca">420.153416</td><td class="ca">0.006584</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33395" target="_blank" class="btn">HMDB33395</a></td><td class="ca">C39H50O20</td><td class="ca">838.28954404</td><td class="ca">M+2H</td><td class="ca">+</td><td class="ca">420.152048</td><td class="ca">0.007952</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB32864" target="_blank" class="btn">HMDB32864</a></td><td class="ca">C16H23NO7</td><td class="ca">341.147452095</td><td class="ca">M+DMSO+H</td><td class="ca">+</td><td class="ca">420.168672</td><td class="ca">0.008672</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB30934" target="_blank" class="btn">HMDB30934</a></td><td class="ca">C14H17NO10</td><td class="ca">359.085245769</td><td class="ca">M+IsoProp+H</td><td class="ca">+</td><td class="ca">420.150586</td><td class="ca">0.009414</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB14502" target="_blank" class="btn">HMDB14502</a></td><td class="ca">C17H16F6N2O</td><td class="ca">378.116682374</td><td class="ca">M+ACN+H</td><td class="ca">+</td><td class="ca">420.150505</td><td class="ca">0.009495</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB37265" target="_blank" class="btn">HMDB37265</a></td><td class="ca">C16H21NO10</td><td class="ca">387.116545897</td><td class="ca">M+CH3OH+H</td><td class="ca">+</td><td class="ca">420.150035</td><td class="ca">0.009965</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB37262" target="_blank" class="btn">HMDB37262</a></td><td class="ca">C16H21NO10</td><td class="ca">387.116545897</td><td class="ca">M+CH3OH+H</td><td class="ca">+</td><td class="ca">420.150035</td><td class="ca">0.009965</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB59971" target="_blank" class="btn">HMDB59971</a></td><td class="ca">C17H22O11</td><td class="ca">402.116211546</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">420.150035</td><td class="ca">0.009965</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB59973" target="_blank" class="btn">HMDB59973</a></td><td class="ca">C17H22O11</td><td class="ca">402.116211546</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">420.150035</td><td class="ca">0.009965</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB28896" target="_blank" class="btn">HMDB28896</a></td><td class="ca">C17H19N5O3</td><td class="ca">341.148789499</td><td class="ca">M+DMSO+H</td><td class="ca">+</td><td class="ca">420.170009</td><td class="ca">0.010009</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29085" target="_blank" class="btn">HMDB29085</a></td><td class="ca">C17H19N5O3</td><td class="ca">341.148789499</td><td class="ca">M+DMSO+H</td><td class="ca">+</td><td class="ca">420.170009</td><td class="ca">0.010009</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00434" target="_blank" class="btn">HMDB00434</a></td><td class="ca">C10H12O4</td><td class="ca">196.073558872</td><td class="ca">2M+3H2O+2H</td><td class="ca">+</td><td class="ca">420.170238</td><td class="ca">0.010238</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB40256" target="_blank" class="btn">HMDB40256</a></td><td class="ca">C10H12O4</td><td class="ca">196.073558872</td><td class="ca">2M+3H2O+2H</td><td class="ca">+</td><td class="ca">420.170238</td><td class="ca">0.010238</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35721" target="_blank" class="btn">HMDB35721</a></td><td class="ca">C10H12O4</td><td class="ca">196.073558872</td><td class="ca">2M+3H2O+2H</td><td class="ca">+</td><td class="ca">420.170238</td><td class="ca">0.010238</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB30571" target="_blank" class="btn">HMDB30571</a></td><td class="ca">C10H12O4</td><td class="ca">196.073558872</td><td class="ca">2M+3H2O+2H</td><td class="ca">+</td><td class="ca">420.170238</td><td class="ca">0.010238</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29648" target="_blank" class="btn">HMDB29648</a></td><td class="ca">C10H12O4</td><td class="ca">196.073558872</td><td class="ca">2M+3H2O+2H</td><td class="ca">+</td><td class="ca">420.170238</td><td class="ca">0.010238</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB37177" target="_blank" class="btn">HMDB37177</a></td><td class="ca">C10H12O4</td><td class="ca">196.073558872</td><td class="ca">2M+3H2O+2H</td><td class="ca">+</td><td class="ca">420.170238</td><td class="ca">0.010238</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29645" target="_blank" class="btn">HMDB29645</a></td><td class="ca">C10H12O4</td><td class="ca">196.073558872</td><td class="ca">2M+3H2O+2H</td><td class="ca">+</td><td class="ca">420.170238</td><td class="ca">0.010238</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB39427" target="_blank" class="btn">HMDB39427</a></td><td class="ca">C10H12O4</td><td class="ca">196.073558872</td><td class="ca">2M+3H2O+2H</td><td class="ca">+</td><td class="ca">420.170238</td><td class="ca">0.010238</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB40637" target="_blank" class="btn">HMDB40637</a></td><td class="ca">C10H12O4</td><td class="ca">196.073558872</td><td class="ca">2M+3H2O+2H</td><td class="ca">+</td><td class="ca">420.170238</td><td class="ca">0.010238</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB32365" target="_blank" class="btn">HMDB32365</a></td><td class="ca">C10H12O4</td><td class="ca">196.073558872</td><td class="ca">2M+3H2O+2H</td><td class="ca">+</td><td class="ca">420.170238</td><td class="ca">0.010238</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB62121" target="_blank" class="btn">HMDB62121</a></td><td class="ca">C10H12O4</td><td class="ca">196.073558872</td><td class="ca">2M+3H2O+2H</td><td class="ca">+</td><td class="ca">420.170238</td><td class="ca">0.010238</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB60398" target="_blank" class="btn">HMDB60398</a></td><td class="ca">C10H12O4</td><td class="ca">196.073558872</td><td class="ca">2M+3H2O+2H</td><td class="ca">+</td><td class="ca">420.170238</td><td class="ca">0.010238</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB60733" target="_blank" class="btn">HMDB60733</a></td><td class="ca">C10H12O4</td><td class="ca">196.073558872</td><td class="ca">2M+3H2O+2H</td><td class="ca">+</td><td class="ca">420.170238</td><td class="ca">0.010238</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB60735" target="_blank" class="btn">HMDB60735</a></td><td class="ca">C10H12O4</td><td class="ca">196.073558872</td><td class="ca">2M+3H2O+2H</td><td class="ca">+</td><td class="ca">420.170238</td><td class="ca">0.010238</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB11739" target="_blank" class="btn">HMDB11739</a></td><td class="ca">C12H26O13</td><td class="ca">378.137340918</td><td class="ca">M+ACN+H</td><td class="ca">+</td><td class="ca">420.171164</td><td class="ca">0.011164</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33927" target="_blank" class="btn">HMDB33927</a></td><td class="ca">C12H20N2O9</td><td class="ca">336.116880248</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">420.17199</td><td class="ca">0.01199</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33187" target="_blank" class="btn">HMDB33187</a></td><td class="ca">C14H10</td><td class="ca">178.07825032</td><td class="ca">2M+ACN+Na</td><td class="ca">+</td><td class="ca">420.172266</td><td class="ca">0.012266</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33558" target="_blank" class="btn">HMDB33558</a></td><td class="ca">C13H24O11</td><td class="ca">356.13186161</td><td class="ca">M+ACN+Na</td><td class="ca">+</td><td class="ca">420.147627</td><td class="ca">0.012373</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35321" target="_blank" class="btn">HMDB35321</a></td><td class="ca">C13H24O11</td><td class="ca">356.13186161</td><td class="ca">M+ACN+Na</td><td class="ca">+</td><td class="ca">420.147627</td><td class="ca">0.012373</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB41487" target="_blank" class="btn">HMDB41487</a></td><td class="ca">C13H24O11</td><td class="ca">356.13186161</td><td class="ca">M+ACN+Na</td><td class="ca">+</td><td class="ca">420.147627</td><td class="ca">0.012373</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB39475" target="_blank" class="btn">HMDB39475</a></td><td class="ca">C13H24O11</td><td class="ca">356.13186161</td><td class="ca">M+ACN+Na</td><td class="ca">+</td><td class="ca">420.147627</td><td class="ca">0.012373</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29326" target="_blank" class="btn">HMDB29326</a></td><td class="ca">C19H19NO5</td><td class="ca">341.126322723</td><td class="ca">M+DMSO+H</td><td class="ca">+</td><td class="ca">420.147543</td><td class="ca">0.012457</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33366" target="_blank" class="btn">HMDB33366</a></td><td class="ca">C19H19NO5</td><td class="ca">341.126322723</td><td class="ca">M+DMSO+H</td><td class="ca">+</td><td class="ca">420.147543</td><td class="ca">0.012457</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB14668" target="_blank" class="btn">HMDB14668</a></td><td class="ca">C20H29N3O2</td><td class="ca">343.225977187</td><td class="ca">M+2K+H</td><td class="ca">+</td><td class="ca">420.145017</td><td class="ca">0.014983</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB41441" target="_blank" class="btn">HMDB41441</a></td><td class="ca">C22H18O6</td><td class="ca">378.110338308</td><td class="ca">M+ACN+H</td><td class="ca">+</td><td class="ca">420.144161</td><td class="ca">0.015839</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31182" target="_blank" class="btn">HMDB31182</a></td><td class="ca">C16H19NO7</td><td class="ca">337.116151967</td><td class="ca">M+2ACN+H</td><td class="ca">+</td><td class="ca">420.176522</td><td class="ca">0.016522</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB61008" target="_blank" class="btn">HMDB61008</a></td><td class="ca">C10H13ClN2</td><td class="ca">196.076726133</td><td class="ca">2M+3H2O+2H</td><td class="ca">+</td><td class="ca">420.176572</td><td class="ca">0.016572</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB42015" target="_blank" class="btn">HMDB42015</a></td><td class="ca">C21H26N2O2S2</td><td class="ca">402.143569466</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">420.177392</td><td class="ca">0.017392</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB01857" target="_blank" class="btn">HMDB01857</a></td><td class="ca">C7H8N4O3</td><td class="ca">196.059640142</td><td class="ca">2M+3H2O+2H</td><td class="ca">+</td><td class="ca">420.1424</td><td class="ca">0.0176</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB01982" target="_blank" class="btn">HMDB01982</a></td><td class="ca">C7H8N4O3</td><td class="ca">196.059640142</td><td class="ca">2M+3H2O+2H</td><td class="ca">+</td><td class="ca">420.1424</td><td class="ca">0.0176</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB02026" target="_blank" class="btn">HMDB02026</a></td><td class="ca">C7H8N4O3</td><td class="ca">196.059640142</td><td class="ca">2M+3H2O+2H</td><td class="ca">+</td><td class="ca">420.1424</td><td class="ca">0.0176</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB04308" target="_blank" class="btn">HMDB04308</a></td><td class="ca">C7H8N4O3</td><td class="ca">196.059640142</td><td class="ca">2M+3H2O+2H</td><td class="ca">+</td><td class="ca">420.1424</td><td class="ca">0.0176</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB11103" target="_blank" class="btn">HMDB11103</a></td><td class="ca">C7H8N4O3</td><td class="ca">196.059640142</td><td class="ca">2M+3H2O+2H</td><td class="ca">+</td><td class="ca">420.1424</td><td class="ca">0.0176</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB59704" target="_blank" class="btn">HMDB59704</a></td><td class="ca">C7H8N4O3</td><td class="ca">196.059640142</td><td class="ca">2M+3H2O+2H</td><td class="ca">+</td><td class="ca">420.1424</td><td class="ca">0.0176</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB30328" target="_blank" class="btn">HMDB30328</a></td><td class="ca">C19H27NO7</td><td class="ca">381.178752223</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">420.14191</td><td class="ca">0.01809</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB41401" target="_blank" class="btn">HMDB41401</a></td><td class="ca">C21H24O5</td><td class="ca">356.162373878</td><td class="ca">M+ACN+Na</td><td class="ca">+</td><td class="ca">420.178139</td><td class="ca">0.018139</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB30333" target="_blank" class="btn">HMDB30333</a></td><td class="ca">C21H24O5</td><td class="ca">356.162373878</td><td class="ca">M+ACN+Na</td><td class="ca">+</td><td class="ca">420.178139</td><td class="ca">0.018139</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33879" target="_blank" class="btn">HMDB33879</a></td><td class="ca">C21H24O5</td><td class="ca">356.162373878</td><td class="ca">M+ACN+Na</td><td class="ca">+</td><td class="ca">420.178139</td><td class="ca">0.018139</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33880" target="_blank" class="btn">HMDB33880</a></td><td class="ca">C21H24O5</td><td class="ca">356.162373878</td><td class="ca">M+ACN+Na</td><td class="ca">+</td><td class="ca">420.178139</td><td class="ca">0.018139</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB30798" target="_blank" class="btn">HMDB30798</a></td><td class="ca">C21H24O5</td><td class="ca">356.162373878</td><td class="ca">M+ACN+Na</td><td class="ca">+</td><td class="ca">420.178139</td><td class="ca">0.018139</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35403" target="_blank" class="btn">HMDB35403</a></td><td class="ca">C21H24O5</td><td class="ca">356.162373878</td><td class="ca">M+ACN+Na</td><td class="ca">+</td><td class="ca">420.178139</td><td class="ca">0.018139</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB30666" target="_blank" class="btn">HMDB30666</a></td><td class="ca">C21H24O5</td><td class="ca">356.162373878</td><td class="ca">M+ACN+Na</td><td class="ca">+</td><td class="ca">420.178139</td><td class="ca">0.018139</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35440" target="_blank" class="btn">HMDB35440</a></td><td class="ca">C21H24O5</td><td class="ca">356.162373878</td><td class="ca">M+ACN+Na</td><td class="ca">+</td><td class="ca">420.178139</td><td class="ca">0.018139</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB30435" target="_blank" class="btn">HMDB30435</a></td><td class="ca">C22H23NO6</td><td class="ca">397.152537473</td><td class="ca">M+Na</td><td class="ca">+</td><td class="ca">420.141755</td><td class="ca">0.018245</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB02040" target="_blank" class="btn">HMDB02040</a></td><td class="ca">C10H10O3</td><td class="ca">178.062994186</td><td class="ca">2M+ACN+Na</td><td class="ca">+</td><td class="ca">420.141753</td><td class="ca">0.018247</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB41290" target="_blank" class="btn">HMDB41290</a></td><td class="ca">C20H20O6</td><td class="ca">356.125988372</td><td class="ca">M+ACN+Na</td><td class="ca">+</td><td class="ca">420.141753</td><td class="ca">0.018247</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB38774" target="_blank" class="btn">HMDB38774</a></td><td class="ca">C20H20O6</td><td class="ca">356.125988372</td><td class="ca">M+ACN+Na</td><td class="ca">+</td><td class="ca">420.141753</td><td class="ca">0.018247</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB38965" target="_blank" class="btn">HMDB38965</a></td><td class="ca">C10H10O3</td><td class="ca">178.062994186</td><td class="ca">2M+ACN+Na</td><td class="ca">+</td><td class="ca">420.141753</td><td class="ca">0.018247</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29459" target="_blank" class="btn">HMDB29459</a></td><td class="ca">C20H20O6</td><td class="ca">356.125988372</td><td class="ca">M+ACN+Na</td><td class="ca">+</td><td class="ca">420.141753</td><td class="ca">0.018247</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31055" target="_blank" class="btn">HMDB31055</a></td><td class="ca">C10H10O3</td><td class="ca">178.062994186</td><td class="ca">2M+ACN+Na</td><td class="ca">+</td><td class="ca">420.141753</td><td class="ca">0.018247</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB38712" target="_blank" class="btn">HMDB38712</a></td><td class="ca">C10H10O3</td><td class="ca">178.062994186</td><td class="ca">2M+ACN+Na</td><td class="ca">+</td><td class="ca">420.141753</td><td class="ca">0.018247</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35525" target="_blank" class="btn">HMDB35525</a></td><td class="ca">C20H20O6</td><td class="ca">356.125988372</td><td class="ca">M+ACN+Na</td><td class="ca">+</td><td class="ca">420.141753</td><td class="ca">0.018247</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB39471" target="_blank" class="btn">HMDB39471</a></td><td class="ca">C10H10O3</td><td class="ca">178.062994186</td><td class="ca">2M+ACN+Na</td><td class="ca">+</td><td class="ca">420.141753</td><td class="ca">0.018247</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB34213" target="_blank" class="btn">HMDB34213</a></td><td class="ca">C20H20O6</td><td class="ca">356.125988372</td><td class="ca">M+ACN+Na</td><td class="ca">+</td><td class="ca">420.141753</td><td class="ca">0.018247</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB41123" target="_blank" class="btn">HMDB41123</a></td><td class="ca">C20H20O6</td><td class="ca">356.125988372</td><td class="ca">M+ACN+Na</td><td class="ca">+</td><td class="ca">420.141753</td><td class="ca">0.018247</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB30682" target="_blank" class="btn">HMDB30682</a></td><td class="ca">C20H20O6</td><td class="ca">356.125988372</td><td class="ca">M+ACN+Na</td><td class="ca">+</td><td class="ca">420.141753</td><td class="ca">0.018247</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33027" target="_blank" class="btn">HMDB33027</a></td><td class="ca">C20H20O6</td><td class="ca">356.125988372</td><td class="ca">M+ACN+Na</td><td class="ca">+</td><td class="ca">420.141753</td><td class="ca">0.018247</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB30903" target="_blank" class="btn">HMDB30903</a></td><td class="ca">C10H10O3</td><td class="ca">178.062994186</td><td class="ca">2M+ACN+Na</td><td class="ca">+</td><td class="ca">420.141753</td><td class="ca">0.018247</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33248" target="_blank" class="btn">HMDB33248</a></td><td class="ca">C10H10O3</td><td class="ca">178.062994186</td><td class="ca">2M+ACN+Na</td><td class="ca">+</td><td class="ca">420.141753</td><td class="ca">0.018247</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB03409" target="_blank" class="btn">HMDB03409</a></td><td class="ca">C20H18NO4</td><td class="ca">336.123583069</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">420.178693</td><td class="ca">0.018693</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB61059" target="_blank" class="btn">HMDB61059</a></td><td class="ca">C19H22ClN5O2</td><td class="ca">387.14620268</td><td class="ca">M+CH3OH+H</td><td class="ca">+</td><td class="ca">420.179692</td><td class="ca">0.019692</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB61060" target="_blank" class="btn">HMDB61060</a></td><td class="ca">C19H22ClN5O2</td><td class="ca">387.14620268</td><td class="ca">M+CH3OH+H</td><td class="ca">+</td><td class="ca">420.179692</td><td class="ca">0.019692</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB11658" target="_blank" class="btn">HMDB11658</a></td><td class="ca">C15H15NO8</td><td class="ca">337.079766461</td><td class="ca">M+2ACN+H</td><td class="ca">+</td><td class="ca">420.140136</td><td class="ca">0.019864</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB13189" target="_blank" class="btn">HMDB13189</a></td><td class="ca">C15H15NO8</td><td class="ca">337.079766461</td><td class="ca">M+2ACN+H</td><td class="ca">+</td><td class="ca">420.140136</td><td class="ca">0.019864</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00565" target="_blank" class="btn">HMDB00565</a></td><td class="ca">C6H12O7</td><td class="ca">196.058302738</td><td class="ca">2M+3H2O+2H</td><td class="ca">+</td><td class="ca">420.139725</td><td class="ca">0.020275</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00625" target="_blank" class="btn">HMDB00625</a></td><td class="ca">C6H12O7</td><td class="ca">196.058302738</td><td class="ca">2M+3H2O+2H</td><td class="ca">+</td><td class="ca">420.139725</td><td class="ca">0.020275</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB03290" target="_blank" class="btn">HMDB03290</a></td><td class="ca">C6H12O7</td><td class="ca">196.058302738</td><td class="ca">2M+3H2O+2H</td><td class="ca">+</td><td class="ca">420.139725</td><td class="ca">0.020275</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29287" target="_blank" class="btn">HMDB29287</a></td><td class="ca">C16H16O8</td><td class="ca">336.084517488</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">420.139627</td><td class="ca">0.020373</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29288" target="_blank" class="btn">HMDB29288</a></td><td class="ca">C16H16O8</td><td class="ca">336.084517488</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">420.139627</td><td class="ca">0.020373</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33999" target="_blank" class="btn">HMDB33999</a></td><td class="ca">C16H16O8</td><td class="ca">336.084517488</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">420.139627</td><td class="ca">0.020373</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB30654" target="_blank" class="btn">HMDB30654</a></td><td class="ca">C16H16O8</td><td class="ca">336.084517488</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">420.139627</td><td class="ca">0.020373</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33997" target="_blank" class="btn">HMDB33997</a></td><td class="ca">C16H16O8</td><td class="ca">336.084517488</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">420.139627</td><td class="ca">0.020373</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33563" target="_blank" class="btn">HMDB33563</a></td><td class="ca">C16H16O8</td><td class="ca">336.084517488</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">420.139627</td><td class="ca">0.020373</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB34396" target="_blank" class="btn">HMDB34396</a></td><td class="ca">C33H40O20</td><td class="ca">756.21129372</td><td class="ca">M+2ACN+2H</td><td class="ca">+</td><td class="ca">420.13947</td><td class="ca">0.02053</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB40543" target="_blank" class="btn">HMDB40543</a></td><td class="ca">C33H40O20</td><td class="ca">756.21129372</td><td class="ca">M+2ACN+2H</td><td class="ca">+</td><td class="ca">420.13947</td><td class="ca">0.02053</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB39951" target="_blank" class="btn">HMDB39951</a></td><td class="ca">C33H40O20</td><td class="ca">756.21129372</td><td class="ca">M+2ACN+2H</td><td class="ca">+</td><td class="ca">420.13947</td><td class="ca">0.02053</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB41470" target="_blank" class="btn">HMDB41470</a></td><td class="ca">C33H40O20</td><td class="ca">756.21129372</td><td class="ca">M+2ACN+2H</td><td class="ca">+</td><td class="ca">420.13947</td><td class="ca">0.02053</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB38253" target="_blank" class="btn">HMDB38253</a></td><td class="ca">C33H40O20</td><td class="ca">756.21129372</td><td class="ca">M+2ACN+2H</td><td class="ca">+</td><td class="ca">420.13947</td><td class="ca">0.02053</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB38470" target="_blank" class="btn">HMDB38470</a></td><td class="ca">C33H40O20</td><td class="ca">756.21129372</td><td class="ca">M+2ACN+2H</td><td class="ca">+</td><td class="ca">420.13947</td><td class="ca">0.02053</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB37427" target="_blank" class="btn">HMDB37427</a></td><td class="ca">C33H40O20</td><td class="ca">756.21129372</td><td class="ca">M+2ACN+2H</td><td class="ca">+</td><td class="ca">420.13947</td><td class="ca">0.02053</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35004" target="_blank" class="btn">HMDB35004</a></td><td class="ca">C33H40O20</td><td class="ca">756.21129372</td><td class="ca">M+2ACN+2H</td><td class="ca">+</td><td class="ca">420.13947</td><td class="ca">0.02053</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB37959" target="_blank" class="btn">HMDB37959</a></td><td class="ca">C33H40O20</td><td class="ca">756.21129372</td><td class="ca">M+2ACN+2H</td><td class="ca">+</td><td class="ca">420.13947</td><td class="ca">0.02053</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB38768" target="_blank" class="btn">HMDB38768</a></td><td class="ca">C33H40O20</td><td class="ca">756.21129372</td><td class="ca">M+2ACN+2H</td><td class="ca">+</td><td class="ca">420.13947</td><td class="ca">0.02053</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB37566" target="_blank" class="btn">HMDB37566</a></td><td class="ca">C33H40O20</td><td class="ca">756.21129372</td><td class="ca">M+2ACN+2H</td><td class="ca">+</td><td class="ca">420.13947</td><td class="ca">0.02053</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB40294" target="_blank" class="btn">HMDB40294</a></td><td class="ca">C33H40O20</td><td class="ca">756.21129372</td><td class="ca">M+2ACN+2H</td><td class="ca">+</td><td class="ca">420.13947</td><td class="ca">0.02053</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB37353" target="_blank" class="btn">HMDB37353</a></td><td class="ca">C33H40O20</td><td class="ca">756.21129372</td><td class="ca">M+2ACN+2H</td><td class="ca">+</td><td class="ca">420.13947</td><td class="ca">0.02053</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB37411" target="_blank" class="btn">HMDB37411</a></td><td class="ca">C33H40O20</td><td class="ca">756.21129372</td><td class="ca">M+2ACN+2H</td><td class="ca">+</td><td class="ca">420.13947</td><td class="ca">0.02053</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB40350" target="_blank" class="btn">HMDB40350</a></td><td class="ca">C23H22O5</td><td class="ca">378.146723814</td><td class="ca">M+ACN+H</td><td class="ca">+</td><td class="ca">420.180547</td><td class="ca">0.020547</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB30656" target="_blank" class="btn">HMDB30656</a></td><td class="ca">C23H22O5</td><td class="ca">378.146723814</td><td class="ca">M+ACN+H</td><td class="ca">+</td><td class="ca">420.180547</td><td class="ca">0.020547</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB61313" target="_blank" class="btn">HMDB61313</a></td><td class="ca">C21H20ClFNO</td><td class="ca">356.121745179</td><td class="ca">M+ACN+Na</td><td class="ca">+</td><td class="ca">420.13751</td><td class="ca">0.02249</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB60562" target="_blank" class="btn">HMDB60562</a></td><td class="ca">C12H20N2O5S2</td><td class="ca">336.08136314</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">420.136473</td><td class="ca">0.023527</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29419" target="_blank" class="btn">HMDB29419</a></td><td class="ca">C6H11N3O4</td><td class="ca">189.074955855</td><td class="ca">2M+ACN+H</td><td class="ca">+</td><td class="ca">420.183735</td><td class="ca">0.023735</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB28731" target="_blank" class="btn">HMDB28731</a></td><td class="ca">C6H11N3O4</td><td class="ca">189.074955855</td><td class="ca">2M+ACN+H</td><td class="ca">+</td><td class="ca">420.183735</td><td class="ca">0.023735</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB28836" target="_blank" class="btn">HMDB28836</a></td><td class="ca">C6H11N3O4</td><td class="ca">189.074955855</td><td class="ca">2M+ACN+H</td><td class="ca">+</td><td class="ca">420.183735</td><td class="ca">0.023735</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31791" target="_blank" class="btn">HMDB31791</a></td><td class="ca">C25H22ClNO3</td><td class="ca">419.128821282</td><td class="ca">M+H</td><td class="ca">+</td><td class="ca">420.136097</td><td class="ca">0.023903</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB14842" target="_blank" class="btn">HMDB14842</a></td><td class="ca">C20H23NO4</td><td class="ca">341.162708229</td><td class="ca">M+DMSO+H</td><td class="ca">+</td><td class="ca">420.183928</td><td class="ca">0.023928</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB30184" target="_blank" class="btn">HMDB30184</a></td><td class="ca">C20H23NO4</td><td class="ca">341.162708229</td><td class="ca">M+DMSO+H</td><td class="ca">+</td><td class="ca">420.183928</td><td class="ca">0.023928</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31998" target="_blank" class="btn">HMDB31998</a></td><td class="ca">C20H23NO4</td><td class="ca">341.162708229</td><td class="ca">M+DMSO+H</td><td class="ca">+</td><td class="ca">420.183928</td><td class="ca">0.023928</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33789" target="_blank" class="btn">HMDB33789</a></td><td class="ca">C7H14O5</td><td class="ca">178.084123558</td><td class="ca">2M+ACN+Na</td><td class="ca">+</td><td class="ca">420.184012</td><td class="ca">0.024012</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB15264" target="_blank" class="btn">HMDB15264</a></td><td class="ca">C19H20N2O3S</td><td class="ca">356.119463206</td><td class="ca">M+ACN+Na</td><td class="ca">+</td><td class="ca">420.135228</td><td class="ca">0.024772</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB14828" target="_blank" class="btn">HMDB14828</a></td><td class="ca">C21H23ClFN3O</td><td class="ca">387.151368285</td><td class="ca">M+CH3OH+H</td><td class="ca">+</td><td class="ca">420.184857</td><td class="ca">0.024857</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29569" target="_blank" class="btn">HMDB29569</a></td><td class="ca">C8H18S2</td><td class="ca">178.084991956</td><td class="ca">2M+ACN+Na</td><td class="ca">+</td><td class="ca">420.185749</td><td class="ca">0.025749</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB40348" target="_blank" class="btn">HMDB40348</a></td><td class="ca">C8H18S2</td><td class="ca">178.084991956</td><td class="ca">2M+ACN+Na</td><td class="ca">+</td><td class="ca">420.185749</td><td class="ca">0.025749</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB15540" target="_blank" class="btn">HMDB15540</a></td><td class="ca">C21H27N3O7S</td><td class="ca">465.156970923</td><td class="ca">M+2Na+H</td><td class="ca">+</td><td class="ca">420.185811</td><td class="ca">0.025811</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB30340" target="_blank" class="btn">HMDB30340</a></td><td class="ca">C21H29NO3</td><td class="ca">343.214743799</td><td class="ca">M+2K+H</td><td class="ca">+</td><td class="ca">420.133784</td><td class="ca">0.026216</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33959" target="_blank" class="btn">HMDB33959</a></td><td class="ca">C21H29NO3</td><td class="ca">343.214743799</td><td class="ca">M+2K+H</td><td class="ca">+</td><td class="ca">420.133784</td><td class="ca">0.026216</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB41190" target="_blank" class="btn">HMDB41190</a></td><td class="ca">C18H26O10</td><td class="ca">402.152597052</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">420.18642</td><td class="ca">0.02642</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB41514" target="_blank" class="btn">HMDB41514</a></td><td class="ca">C18H26O10</td><td class="ca">402.152597052</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">420.18642</td><td class="ca">0.02642</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB01260" target="_blank" class="btn">HMDB01260</a></td><td class="ca">C21H35N9O15P2</td><td class="ca">715.172784519</td><td class="ca">M+3ACN+2H</td><td class="ca">+</td><td class="ca">420.133489</td><td class="ca">0.026511</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB10336" target="_blank" class="btn">HMDB10336</a></td><td class="ca">C15H21NO9</td><td class="ca">359.121631275</td><td class="ca">M+IsoProp+H</td><td class="ca">+</td><td class="ca">420.186971</td><td class="ca">0.026971</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29452" target="_blank" class="btn">HMDB29452</a></td><td class="ca">C15H21NO9</td><td class="ca">359.121631275</td><td class="ca">M+IsoProp+H</td><td class="ca">+</td><td class="ca">420.186971</td><td class="ca">0.026971</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33107" target="_blank" class="btn">HMDB33107</a></td><td class="ca">C16H20N2O6</td><td class="ca">336.132136382</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">420.187246</td><td class="ca">0.027246</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB37997" target="_blank" class="btn">HMDB37997</a></td><td class="ca">C21H21O12</td><td class="ca">465.103301136</td><td class="ca">M+2Na+H</td><td class="ca">+</td><td class="ca">420.132141</td><td class="ca">0.027859</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB15576" target="_blank" class="btn">HMDB15576</a></td><td class="ca">C6H12N3PS</td><td class="ca">189.048954601</td><td class="ca">2M+ACN+H</td><td class="ca">+</td><td class="ca">420.131732</td><td class="ca">0.028268</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB61129" target="_blank" class="btn">HMDB61129</a></td><td class="ca">C17H17ClO5</td><td class="ca">336.076451361</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">420.131561</td><td class="ca">0.028439</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31826" target="_blank" class="btn">HMDB31826</a></td><td class="ca">C39H62NO16</td><td class="ca">800.406859941</td><td class="ca">M+H+K</td><td class="ca">+</td><td class="ca">420.188647</td><td class="ca">0.028647</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB15178" target="_blank" class="btn">HMDB15178</a></td><td class="ca">C19H22FN3O4</td><td class="ca">375.159434412</td><td class="ca">M+2Na-H</td><td class="ca">+</td><td class="ca">420.130594</td><td class="ca">0.029406</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB04645" target="_blank" class="btn">HMDB04645</a></td><td class="ca">C10H16N4O7S</td><td class="ca">336.073969576</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">420.12908</td><td class="ca">0.03092</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB41257" target="_blank" class="btn">HMDB41257</a></td><td class="ca">C20H18O9</td><td class="ca">402.095082174</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">420.128905</td><td class="ca">0.031095</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB39332" target="_blank" class="btn">HMDB39332</a></td><td class="ca">C36H36O18</td><td class="ca">756.190164348</td><td class="ca">M+2ACN+2H</td><td class="ca">+</td><td class="ca">420.128905</td><td class="ca">0.031095</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB37437" target="_blank" class="btn">HMDB37437</a></td><td class="ca">C36H36O18</td><td class="ca">756.190164348</td><td class="ca">M+2ACN+2H</td><td class="ca">+</td><td class="ca">420.128905</td><td class="ca">0.031095</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB32910" target="_blank" class="btn">HMDB32910</a></td><td class="ca">C36H36O18</td><td class="ca">756.190164348</td><td class="ca">M+2ACN+2H</td><td class="ca">+</td><td class="ca">420.128905</td><td class="ca">0.031095</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB39609" target="_blank" class="btn">HMDB39609</a></td><td class="ca">C21H20O4</td><td class="ca">336.136159128</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">420.191269</td><td class="ca">0.031269</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35501" target="_blank" class="btn">HMDB35501</a></td><td class="ca">C21H20O4</td><td class="ca">336.136159128</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">420.191269</td><td class="ca">0.031269</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB02250" target="_blank" class="btn">HMDB02250</a></td><td class="ca">C19H37NO4</td><td class="ca">343.272258677</td><td class="ca">M+2K+H</td><td class="ca">+</td><td class="ca">420.191299</td><td class="ca">0.031299</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29332" target="_blank" class="btn">HMDB29332</a></td><td class="ca">C20H19NO4</td><td class="ca">337.131408101</td><td class="ca">M+2ACN+H</td><td class="ca">+</td><td class="ca">420.191778</td><td class="ca">0.031778</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33524" target="_blank" class="btn">HMDB33524</a></td><td class="ca">C20H19NO4</td><td class="ca">337.131408101</td><td class="ca">M+2ACN+H</td><td class="ca">+</td><td class="ca">420.191778</td><td class="ca">0.031778</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29827" target="_blank" class="btn">HMDB29827</a></td><td class="ca">C20H19NO4</td><td class="ca">337.131408101</td><td class="ca">M+2ACN+H</td><td class="ca">+</td><td class="ca">420.191778</td><td class="ca">0.031778</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB14970" target="_blank" class="btn">HMDB14970</a></td><td class="ca">C11H11NO2</td><td class="ca">189.078978601</td><td class="ca">2M+ACN+H</td><td class="ca">+</td><td class="ca">420.19178</td><td class="ca">0.03178</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB02302" target="_blank" class="btn">HMDB02302</a></td><td class="ca">C11H11NO2</td><td class="ca">189.078978601</td><td class="ca">2M+ACN+H</td><td class="ca">+</td><td class="ca">420.19178</td><td class="ca">0.03178</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29738" target="_blank" class="btn">HMDB29738</a></td><td class="ca">C11H11NO2</td><td class="ca">189.078978601</td><td class="ca">2M+ACN+H</td><td class="ca">+</td><td class="ca">420.19178</td><td class="ca">0.03178</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB12201" target="_blank" class="btn">HMDB12201</a></td><td class="ca">C16H23N5O6</td><td class="ca">381.164833493</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">420.127991</td><td class="ca">0.032009</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB12202" target="_blank" class="btn">HMDB12202</a></td><td class="ca">C16H23N5O6</td><td class="ca">381.164833493</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">420.127991</td><td class="ca">0.032009</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB12203" target="_blank" class="btn">HMDB12203</a></td><td class="ca">C16H23N5O6</td><td class="ca">381.164833493</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">420.127991</td><td class="ca">0.032009</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB41369" target="_blank" class="btn">HMDB41369</a></td><td class="ca">C16H23N5O6</td><td class="ca">381.164833493</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">420.127991</td><td class="ca">0.032009</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB32000" target="_blank" class="btn">HMDB32000</a></td><td class="ca">C16H23N5O6</td><td class="ca">381.164833493</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">420.127991</td><td class="ca">0.032009</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB37688" target="_blank" class="btn">HMDB37688</a></td><td class="ca">C9H12N2O3</td><td class="ca">196.08479226</td><td class="ca">2M+3H2O+2H</td><td class="ca">+</td><td class="ca">420.192705</td><td class="ca">0.032705</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB32852" target="_blank" class="btn">HMDB32852</a></td><td class="ca">C9H12N2O3</td><td class="ca">196.08479226</td><td class="ca">2M+3H2O+2H</td><td class="ca">+</td><td class="ca">420.192705</td><td class="ca">0.032705</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33965" target="_blank" class="btn">HMDB33965</a></td><td class="ca">C15H27NO10</td><td class="ca">381.163496089</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">420.126654</td><td class="ca">0.033346</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB40866" target="_blank" class="btn">HMDB40866</a></td><td class="ca">C16H20O9</td><td class="ca">356.110732238</td><td class="ca">M+ACN+Na</td><td class="ca">+</td><td class="ca">420.126497</td><td class="ca">0.033503</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB36938" target="_blank" class="btn">HMDB36938</a></td><td class="ca">C16H20O9</td><td class="ca">356.110732238</td><td class="ca">M+ACN+Na</td><td class="ca">+</td><td class="ca">420.126497</td><td class="ca">0.033503</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB40664" target="_blank" class="btn">HMDB40664</a></td><td class="ca">C16H20O9</td><td class="ca">356.110732238</td><td class="ca">M+ACN+Na</td><td class="ca">+</td><td class="ca">420.126497</td><td class="ca">0.033503</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31025" target="_blank" class="btn">HMDB31025</a></td><td class="ca">C41H62O15</td><td class="ca">794.408871314</td><td class="ca">M+2Na</td><td class="ca">+</td><td class="ca">420.193654</td><td class="ca">0.033654</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB01162" target="_blank" class="btn">HMDB01162</a></td><td class="ca">C49H58FeN4O5</td><td class="ca">838.375663119</td><td class="ca">M+2H</td><td class="ca">+</td><td class="ca">420.195108</td><td class="ca">0.035108</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB32382" target="_blank" class="btn">HMDB32382</a></td><td class="ca">C19H23N3O3</td><td class="ca">341.173941617</td><td class="ca">M+DMSO+H</td><td class="ca">+</td><td class="ca">420.195162</td><td class="ca">0.035162</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB05026" target="_blank" class="btn">HMDB05026</a></td><td class="ca">C18H21N3O3S</td><td class="ca">359.130362243</td><td class="ca">M+IsoProp+H</td><td class="ca">+</td><td class="ca">420.195702</td><td class="ca">0.035702</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB30394" target="_blank" class="btn">HMDB30394</a></td><td class="ca">C16H25NO9</td><td class="ca">375.152931403</td><td class="ca">M+2Na-H</td><td class="ca">+</td><td class="ca">420.124091</td><td class="ca">0.035909</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB15107" target="_blank" class="btn">HMDB15107</a></td><td class="ca">C22H24ClN3O</td><td class="ca">381.160790112</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">420.123948</td><td class="ca">0.036052</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB14717" target="_blank" class="btn">HMDB14717</a></td><td class="ca">C17H18N2O6S</td><td class="ca">378.088557008</td><td class="ca">M+ACN+H</td><td class="ca">+</td><td class="ca">420.12238</td><td class="ca">0.03762</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB38228" target="_blank" class="btn">HMDB38228</a></td><td class="ca">C13H23NO9</td><td class="ca">337.137281339</td><td class="ca">M+2ACN+H</td><td class="ca">+</td><td class="ca">420.197651</td><td class="ca">0.037651</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB12286" target="_blank" class="btn">HMDB12286</a></td><td class="ca">C8H15NO2S</td><td class="ca">189.082349419</td><td class="ca">2M+ACN+H</td><td class="ca">+</td><td class="ca">420.198522</td><td class="ca">0.038522</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB61100" target="_blank" class="btn">HMDB61100</a></td><td class="ca">C14H19N5O5</td><td class="ca">337.138618743</td><td class="ca">M+2ACN+H</td><td class="ca">+</td><td class="ca">420.198989</td><td class="ca">0.038989</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB01117" target="_blank" class="btn">HMDB01117</a></td><td class="ca">C12H23N2O9PS</td><td class="ca">402.086187546</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">420.120011</td><td class="ca">0.039989</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB41986" target="_blank" class="btn">HMDB41986</a></td><td class="ca">C19H24N4O3</td><td class="ca">356.184840654</td><td class="ca">M+ACN+Na</td><td class="ca">+</td><td class="ca">420.200606</td><td class="ca">0.040606</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB61220" target="_blank" class="btn">HMDB61220</a></td><td class="ca">C19H24N4O3</td><td class="ca">356.184840654</td><td class="ca">M+ACN+Na</td><td class="ca">+</td><td class="ca">420.200606</td><td class="ca">0.040606</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB61221" target="_blank" class="btn">HMDB61221</a></td><td class="ca">C19H24N4O3</td><td class="ca">356.184840654</td><td class="ca">M+ACN+Na</td><td class="ca">+</td><td class="ca">420.200606</td><td class="ca">0.040606</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB59631" target="_blank" class="btn">HMDB59631</a></td><td class="ca">C14H12O</td><td class="ca">196.088815006</td><td class="ca">2M+3H2O+2H</td><td class="ca">+</td><td class="ca">420.20075</td><td class="ca">0.04075</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00715" target="_blank" class="btn">HMDB00715</a></td><td class="ca">C10H7NO3</td><td class="ca">189.042593095</td><td class="ca">2M+ACN+H</td><td class="ca">+</td><td class="ca">420.119009</td><td class="ca">0.040991</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB60331" target="_blank" class="btn">HMDB60331</a></td><td class="ca">C10H7NO3</td><td class="ca">189.042593095</td><td class="ca">2M+ACN+H</td><td class="ca">+</td><td class="ca">420.119009</td><td class="ca">0.040991</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB60332" target="_blank" class="btn">HMDB60332</a></td><td class="ca">C10H7NO3</td><td class="ca">189.042593095</td><td class="ca">2M+ACN+H</td><td class="ca">+</td><td class="ca">420.119009</td><td class="ca">0.040991</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB14411" target="_blank" class="btn">HMDB14411</a></td><td class="ca">C19H12O6</td><td class="ca">336.063388116</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">420.118498</td><td class="ca">0.041502</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB34129" target="_blank" class="btn">HMDB34129</a></td><td class="ca">C19H12O6</td><td class="ca">336.063388116</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">420.118498</td><td class="ca">0.041502</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB34039" target="_blank" class="btn">HMDB34039</a></td><td class="ca">C19H12O6</td><td class="ca">336.063388116</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">420.118498</td><td class="ca">0.041502</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB34049" target="_blank" class="btn">HMDB34049</a></td><td class="ca">C19H12O6</td><td class="ca">336.063388116</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">420.118498</td><td class="ca">0.041502</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB37373" target="_blank" class="btn">HMDB37373</a></td><td class="ca">C39H32O16</td><td class="ca">756.169034976</td><td class="ca">M+2ACN+2H</td><td class="ca">+</td><td class="ca">420.11834</td><td class="ca">0.04166</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB41231" target="_blank" class="btn">HMDB41231</a></td><td class="ca">C20H26O7</td><td class="ca">378.167853186</td><td class="ca">M+ACN+H</td><td class="ca">+</td><td class="ca">420.201676</td><td class="ca">0.041676</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB36900" target="_blank" class="btn">HMDB36900</a></td><td class="ca">C20H26O7</td><td class="ca">378.167853186</td><td class="ca">M+ACN+H</td><td class="ca">+</td><td class="ca">420.201676</td><td class="ca">0.041676</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB41349" target="_blank" class="btn">HMDB41349</a></td><td class="ca">C20H26O7</td><td class="ca">378.167853186</td><td class="ca">M+ACN+H</td><td class="ca">+</td><td class="ca">420.201676</td><td class="ca">0.041676</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35053" target="_blank" class="btn">HMDB35053</a></td><td class="ca">C20H26O7</td><td class="ca">378.167853186</td><td class="ca">M+ACN+H</td><td class="ca">+</td><td class="ca">420.201676</td><td class="ca">0.041676</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB41002" target="_blank" class="btn">HMDB41002</a></td><td class="ca">C20H26O7</td><td class="ca">378.167853186</td><td class="ca">M+ACN+H</td><td class="ca">+</td><td class="ca">420.201676</td><td class="ca">0.041676</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB34474" target="_blank" class="btn">HMDB34474</a></td><td class="ca">C20H26O7</td><td class="ca">378.167853186</td><td class="ca">M+ACN+H</td><td class="ca">+</td><td class="ca">420.201676</td><td class="ca">0.041676</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB30657" target="_blank" class="btn">HMDB30657</a></td><td class="ca">C20H26O7</td><td class="ca">378.167853186</td><td class="ca">M+ACN+H</td><td class="ca">+</td><td class="ca">420.201676</td><td class="ca">0.041676</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29542" target="_blank" class="btn">HMDB29542</a></td><td class="ca">C22H26O7</td><td class="ca">402.167853186</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">420.201676</td><td class="ca">0.041676</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB36694" target="_blank" class="btn">HMDB36694</a></td><td class="ca">C20H26O7</td><td class="ca">378.167853186</td><td class="ca">M+ACN+H</td><td class="ca">+</td><td class="ca">420.201676</td><td class="ca">0.041676</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB36945" target="_blank" class="btn">HMDB36945</a></td><td class="ca">C20H26O7</td><td class="ca">378.167853186</td><td class="ca">M+ACN+H</td><td class="ca">+</td><td class="ca">420.201676</td><td class="ca">0.041676</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB34016" target="_blank" class="btn">HMDB34016</a></td><td class="ca">C22H26O7</td><td class="ca">402.167853186</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">420.201676</td><td class="ca">0.041676</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB36897" target="_blank" class="btn">HMDB36897</a></td><td class="ca">C20H26O7</td><td class="ca">378.167853186</td><td class="ca">M+ACN+H</td><td class="ca">+</td><td class="ca">420.201676</td><td class="ca">0.041676</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB60871" target="_blank" class="btn">HMDB60871</a></td><td class="ca">C44H55NO14</td><td class="ca">821.362255473</td><td class="ca">M+H+NH4</td><td class="ca">+</td><td class="ca">420.201678</td><td class="ca">0.041678</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB60870" target="_blank" class="btn">HMDB60870</a></td><td class="ca">C44H55NO14</td><td class="ca">821.362255473</td><td class="ca">M+H+NH4</td><td class="ca">+</td><td class="ca">420.201678</td><td class="ca">0.041678</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33356" target="_blank" class="btn">HMDB33356</a></td><td class="ca">C21H26NO4</td><td class="ca">356.186183325</td><td class="ca">M+ACN+Na</td><td class="ca">+</td><td class="ca">420.201948</td><td class="ca">0.041948</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB41519" target="_blank" class="btn">HMDB41519</a></td><td class="ca">C20H20N2O3</td><td class="ca">336.147392516</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">420.202503</td><td class="ca">0.042503</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB01132" target="_blank" class="btn">HMDB01132</a></td><td class="ca">C11H16NO9P</td><td class="ca">337.056267627</td><td class="ca">M+2ACN+H</td><td class="ca">+</td><td class="ca">420.116638</td><td class="ca">0.043362</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB14739" target="_blank" class="btn">HMDB14739</a></td><td class="ca">C16H20FN3O4</td><td class="ca">337.143784348</td><td class="ca">M+2ACN+H</td><td class="ca">+</td><td class="ca">420.204154</td><td class="ca">0.044154</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB59612" target="_blank" class="btn">HMDB59612</a></td><td class="ca">C11H17N5O8P</td><td class="ca">378.081474057</td><td class="ca">M+ACN+H</td><td class="ca">+</td><td class="ca">420.115297</td><td class="ca">0.044703</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31833" target="_blank" class="btn">HMDB31833</a></td><td class="ca">C17H14ClN3O2S</td><td class="ca">359.049525104</td><td class="ca">M+IsoProp+H</td><td class="ca">+</td><td class="ca">420.114865</td><td class="ca">0.045135</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB13929" target="_blank" class="btn">HMDB13929</a></td><td class="ca">C16H16ClNO3S</td><td class="ca">337.05394178</td><td class="ca">M+2ACN+H</td><td class="ca">+</td><td class="ca">420.114312</td><td class="ca">0.045688</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29684" target="_blank" class="btn">HMDB29684</a></td><td class="ca">C7H6N4O2</td><td class="ca">178.049075456</td><td class="ca">2M+ACN+Na</td><td class="ca">+</td><td class="ca">420.113916</td><td class="ca">0.046084</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB39318" target="_blank" class="btn">HMDB39318</a></td><td class="ca">C42H62O17</td><td class="ca">838.398700558</td><td class="ca">M+2H</td><td class="ca">+</td><td class="ca">420.206626</td><td class="ca">0.046626</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31714" target="_blank" class="btn">HMDB31714</a></td><td class="ca">C7H14OS2</td><td class="ca">178.04860645</td><td class="ca">2M+ACN+Na</td><td class="ca">+</td><td class="ca">420.112978</td><td class="ca">0.047022</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB60667" target="_blank" class="btn">HMDB60667</a></td><td class="ca">C24H25NO</td><td class="ca">343.193614427</td><td class="ca">M+2K+H</td><td class="ca">+</td><td class="ca">420.112654</td><td class="ca">0.047346</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB61086" target="_blank" class="btn">HMDB61086</a></td><td class="ca">C24H25NO</td><td class="ca">343.193614427</td><td class="ca">M+2K+H</td><td class="ca">+</td><td class="ca">420.112654</td><td class="ca">0.047346</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB40241" target="_blank" class="btn">HMDB40241</a></td><td class="ca">C11H16OS</td><td class="ca">196.092185824</td><td class="ca">2M+3H2O+2H</td><td class="ca">+</td><td class="ca">420.207492</td><td class="ca">0.047492</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB41088" target="_blank" class="btn">HMDB41088</a></td><td class="ca">C26H27NO7</td><td class="ca">465.178752223</td><td class="ca">M+2Na+H</td><td class="ca">+</td><td class="ca">420.207592</td><td class="ca">0.047592</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB01956" target="_blank" class="btn">HMDB01956</a></td><td class="ca">C40H40N4O14</td><td class="ca">800.254102008</td><td class="ca">M+H+K</td><td class="ca">+</td><td class="ca">420.112268</td><td class="ca">0.047732</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB60775" target="_blank" class="btn">HMDB60775</a></td><td class="ca">C16H13ClFNO4</td><td class="ca">337.051713821</td><td class="ca">M+2ACN+H</td><td class="ca">+</td><td class="ca">420.112084</td><td class="ca">0.047916</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB61718" target="_blank" class="btn">HMDB61718</a></td><td class="ca">C21H28N2OS</td><td class="ca">356.192234218</td><td class="ca">M+ACN+Na</td><td class="ca">+</td><td class="ca">420.207999</td><td class="ca">0.047999</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB14645" target="_blank" class="btn">HMDB14645</a></td><td class="ca">C21H23ClFNO2</td><td class="ca">375.140134897</td><td class="ca">M+2Na-H</td><td class="ca">+</td><td class="ca">420.111295</td><td class="ca">0.048705</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00150" target="_blank" class="btn">HMDB00150</a></td><td class="ca">C6H10O6</td><td class="ca">178.047738052</td><td class="ca">2M+ACN+Na</td><td class="ca">+</td><td class="ca">420.111241</td><td class="ca">0.048759</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB01353" target="_blank" class="btn">HMDB01353</a></td><td class="ca">C6H10O6</td><td class="ca">178.047738052</td><td class="ca">2M+ACN+Na</td><td class="ca">+</td><td class="ca">420.111241</td><td class="ca">0.048759</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB01385" target="_blank" class="btn">HMDB01385</a></td><td class="ca">C6H10O6</td><td class="ca">178.047738052</td><td class="ca">2M+ACN+Na</td><td class="ca">+</td><td class="ca">420.111241</td><td class="ca">0.048759</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB02541" target="_blank" class="btn">HMDB02541</a></td><td class="ca">C6H10O6</td><td class="ca">178.047738052</td><td class="ca">2M+ACN+Na</td><td class="ca">+</td><td class="ca">420.111241</td><td class="ca">0.048759</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB03466" target="_blank" class="btn">HMDB03466</a></td><td class="ca">C6H10O6</td><td class="ca">178.047738052</td><td class="ca">2M+ACN+Na</td><td class="ca">+</td><td class="ca">420.111241</td><td class="ca">0.048759</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB39724" target="_blank" class="btn">HMDB39724</a></td><td class="ca">C12H20O12</td><td class="ca">356.095476104</td><td class="ca">M+ACN+Na</td><td class="ca">+</td><td class="ca">420.111241</td><td class="ca">0.048759</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB39726" target="_blank" class="btn">HMDB39726</a></td><td class="ca">C12H20O12</td><td class="ca">356.095476104</td><td class="ca">M+ACN+Na</td><td class="ca">+</td><td class="ca">420.111241</td><td class="ca">0.048759</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29938" target="_blank" class="btn">HMDB29938</a></td><td class="ca">C12H20O12</td><td class="ca">356.095476104</td><td class="ca">M+ACN+Na</td><td class="ca">+</td><td class="ca">420.111241</td><td class="ca">0.048759</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB39722" target="_blank" class="btn">HMDB39722</a></td><td class="ca">C12H20O12</td><td class="ca">356.095476104</td><td class="ca">M+ACN+Na</td><td class="ca">+</td><td class="ca">420.111241</td><td class="ca">0.048759</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29932" target="_blank" class="btn">HMDB29932</a></td><td class="ca">C6H10O6</td><td class="ca">178.047738052</td><td class="ca">2M+ACN+Na</td><td class="ca">+</td><td class="ca">420.111241</td><td class="ca">0.048759</td></tr><tr class="green"><td class="ca" >mz_00004</td><td id="4" class="ca" >780.32</td><td class="ca" colspan="7"></td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31947" target="_blank" class="btn">HMDB31947</a></td><td class="ca">C17H23NO8</td><td class="ca">369.142366717</td><td class="ca">2M+ACN+H</td><td class="ca">+</td><td class="ca">780.318556</td><td class="ca">0.001444</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35940" target="_blank" class="btn">HMDB35940</a></td><td class="ca">C44H44O9</td><td class="ca">716.298533006</td><td class="ca">M+ACN+Na</td><td class="ca">+</td><td class="ca">780.314298</td><td class="ca">0.005702</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33906" target="_blank" class="btn">HMDB33906</a></td><td class="ca">C20H24O7</td><td class="ca">376.152203122</td><td class="ca">2M+3H2O+2H</td><td class="ca">+</td><td class="ca">780.327526</td><td class="ca">0.007526</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB39032" target="_blank" class="btn">HMDB39032</a></td><td class="ca">C20H24O7</td><td class="ca">376.152203122</td><td class="ca">2M+3H2O+2H</td><td class="ca">+</td><td class="ca">780.327526</td><td class="ca">0.007526</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB32731" target="_blank" class="btn">HMDB32731</a></td><td class="ca">C20H24O7</td><td class="ca">376.152203122</td><td class="ca">2M+3H2O+2H</td><td class="ca">+</td><td class="ca">780.327526</td><td class="ca">0.007526</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB39575" target="_blank" class="btn">HMDB39575</a></td><td class="ca">C20H24O7</td><td class="ca">376.152203122</td><td class="ca">2M+3H2O+2H</td><td class="ca">+</td><td class="ca">780.327526</td><td class="ca">0.007526</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB32105" target="_blank" class="btn">HMDB32105</a></td><td class="ca">C20H24O7</td><td class="ca">376.152203122</td><td class="ca">2M+3H2O+2H</td><td class="ca">+</td><td class="ca">780.327526</td><td class="ca">0.007526</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35108" target="_blank" class="btn">HMDB35108</a></td><td class="ca">C20H24O7</td><td class="ca">376.152203122</td><td class="ca">2M+3H2O+2H</td><td class="ca">+</td><td class="ca">780.327526</td><td class="ca">0.007526</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB30081" target="_blank" class="btn">HMDB30081</a></td><td class="ca">C20H24O7</td><td class="ca">376.152203122</td><td class="ca">2M+3H2O+2H</td><td class="ca">+</td><td class="ca">780.327526</td><td class="ca">0.007526</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB36780" target="_blank" class="btn">HMDB36780</a></td><td class="ca">C20H24O7</td><td class="ca">376.152203122</td><td class="ca">2M+3H2O+2H</td><td class="ca">+</td><td class="ca">780.327526</td><td class="ca">0.007526</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB15535" target="_blank" class="btn">HMDB15535</a></td><td class="ca">C16H26N2O5S</td><td class="ca">358.156242642</td><td class="ca">2M+ACN+Na</td><td class="ca">+</td><td class="ca">780.32825</td><td class="ca">0.00825</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33715" target="_blank" class="btn">HMDB33715</a></td><td class="ca">C68H112O37</td><td class="ca">1520.688244598</td><td class="ca">M+H+K</td><td class="ca">+</td><td class="ca">780.329339</td><td class="ca">0.009339</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB14038" target="_blank" class="btn">HMDB14038</a></td><td class="ca">C21H20FNO4</td><td class="ca">369.137636338</td><td class="ca">2M+ACN+H</td><td class="ca">+</td><td class="ca">780.309096</td><td class="ca">0.010904</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB38999" target="_blank" class="btn">HMDB38999</a></td><td class="ca">C17H26O6S</td><td class="ca">358.145009254</td><td class="ca">2M+ACN+Na</td><td class="ca">+</td><td class="ca">780.305784</td><td class="ca">0.014216</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00244" target="_blank" class="btn">HMDB00244</a></td><td class="ca">C17H20N4O6</td><td class="ca">376.138284392</td><td class="ca">2M+3H2O+2H</td><td class="ca">+</td><td class="ca">780.299689</td><td class="ca">0.020311</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35698" target="_blank" class="btn">HMDB35698</a></td><td class="ca">C20H22O6</td><td class="ca">358.141638436</td><td class="ca">2M+ACN+Na</td><td class="ca">+</td><td class="ca">780.299042</td><td class="ca">0.020958</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35467" target="_blank" class="btn">HMDB35467</a></td><td class="ca">C20H22O6</td><td class="ca">358.141638436</td><td class="ca">2M+ACN+Na</td><td class="ca">+</td><td class="ca">780.299042</td><td class="ca">0.020958</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB38113" target="_blank" class="btn">HMDB38113</a></td><td class="ca">C20H22O6</td><td class="ca">358.141638436</td><td class="ca">2M+ACN+Na</td><td class="ca">+</td><td class="ca">780.299042</td><td class="ca">0.020958</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB41276" target="_blank" class="btn">HMDB41276</a></td><td class="ca">C20H22O6</td><td class="ca">358.141638436</td><td class="ca">2M+ACN+Na</td><td class="ca">+</td><td class="ca">780.299042</td><td class="ca">0.020958</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB30573" target="_blank" class="btn">HMDB30573</a></td><td class="ca">C20H22O6</td><td class="ca">358.141638436</td><td class="ca">2M+ACN+Na</td><td class="ca">+</td><td class="ca">780.299042</td><td class="ca">0.020958</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB30709" target="_blank" class="btn">HMDB30709</a></td><td class="ca">C20H22O6</td><td class="ca">358.141638436</td><td class="ca">2M+ACN+Na</td><td class="ca">+</td><td class="ca">780.299042</td><td class="ca">0.020958</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35789" target="_blank" class="btn">HMDB35789</a></td><td class="ca">C20H22O6</td><td class="ca">358.141638436</td><td class="ca">2M+ACN+Na</td><td class="ca">+</td><td class="ca">780.299042</td><td class="ca">0.020958</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB36837" target="_blank" class="btn">HMDB36837</a></td><td class="ca">C20H22O6</td><td class="ca">358.141638436</td><td class="ca">2M+ACN+Na</td><td class="ca">+</td><td class="ca">780.299042</td><td class="ca">0.020958</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB40600" target="_blank" class="btn">HMDB40600</a></td><td class="ca">C16H24O10</td><td class="ca">376.136946988</td><td class="ca">2M+3H2O+2H</td><td class="ca">+</td><td class="ca">780.297014</td><td class="ca">0.022986</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33300" target="_blank" class="btn">HMDB33300</a></td><td class="ca">C16H24O10</td><td class="ca">376.136946988</td><td class="ca">2M+3H2O+2H</td><td class="ca">+</td><td class="ca">780.297014</td><td class="ca">0.022986</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33301" target="_blank" class="btn">HMDB33301</a></td><td class="ca">C16H24O10</td><td class="ca">376.136946988</td><td class="ca">2M+3H2O+2H</td><td class="ca">+</td><td class="ca">780.297014</td><td class="ca">0.022986</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB06676" target="_blank" class="btn">HMDB06676</a></td><td class="ca">C54H89N3O41</td><td class="ca">1435.497149365</td><td class="ca">M+3ACN+2H</td><td class="ca">+</td><td class="ca">780.295672</td><td class="ca">0.024328</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB01069" target="_blank" class="btn">HMDB01069</a></td><td class="ca">C16H18N6O4</td><td class="ca">358.138953094</td><td class="ca">2M+ACN+Na</td><td class="ca">+</td><td class="ca">780.293671</td><td class="ca">0.026329</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33084" target="_blank" class="btn">HMDB33084</a></td><td class="ca">C21H23NO5</td><td class="ca">369.157622851</td><td class="ca">2M+ACN+H</td><td class="ca">+</td><td class="ca">780.349069</td><td class="ca">0.029069</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB36765" target="_blank" class="btn">HMDB36765</a></td><td class="ca">C21H23NO5</td><td class="ca">369.157622851</td><td class="ca">2M+ACN+H</td><td class="ca">+</td><td class="ca">780.349069</td><td class="ca">0.029069</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB61331" target="_blank" class="btn">HMDB61331</a></td><td class="ca">C21H23NO5</td><td class="ca">369.157622851</td><td class="ca">2M+ACN+H</td><td class="ca">+</td><td class="ca">780.349069</td><td class="ca">0.029069</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB38971" target="_blank" class="btn">HMDB38971</a></td><td class="ca">C19H24N2O6</td><td class="ca">376.16343651</td><td class="ca">2M+3H2O+2H</td><td class="ca">+</td><td class="ca">780.349993</td><td class="ca">0.029993</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00768" target="_blank" class="btn">HMDB00768</a></td><td class="ca">C14H23NO11</td><td class="ca">381.127110583</td><td class="ca">2M+NH4</td><td class="ca">+</td><td class="ca">780.288044</td><td class="ca">0.031956</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33932" target="_blank" class="btn">HMDB33932</a></td><td class="ca">C23H20O5</td><td class="ca">376.13107375</td><td class="ca">2M+3H2O+2H</td><td class="ca">+</td><td class="ca">780.285268</td><td class="ca">0.034732</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB38229" target="_blank" class="btn">HMDB38229</a></td><td class="ca">C37H40N4O11</td><td class="ca">716.269358142</td><td class="ca">M+ACN+Na</td><td class="ca">+</td><td class="ca">780.285123</td><td class="ca">0.034877</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB15107" target="_blank" class="btn">HMDB15107</a></td><td class="ca">C22H24ClN3O</td><td class="ca">381.160790112</td><td class="ca">2M+NH4</td><td class="ca">+</td><td class="ca">780.355403</td><td class="ca">0.035403</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29788" target="_blank" class="btn">HMDB29788</a></td><td class="ca">C24H24O4</td><td class="ca">376.167459256</td><td class="ca">2M+3H2O+2H</td><td class="ca">+</td><td class="ca">780.358039</td><td class="ca">0.038039</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29299" target="_blank" class="btn">HMDB29299</a></td><td class="ca">C32H40O17</td><td class="ca">696.226549854</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">780.28166</td><td class="ca">0.03834</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB61254" target="_blank" class="btn">HMDB61254</a></td><td class="ca">C38H41N3O11S</td><td class="ca">747.246179859</td><td class="ca">M+CH3OH+H</td><td class="ca">+</td><td class="ca">780.279669</td><td class="ca">0.040331</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB61256" target="_blank" class="btn">HMDB61256</a></td><td class="ca">C38H41N3O11S</td><td class="ca">747.246179859</td><td class="ca">M+CH3OH+H</td><td class="ca">+</td><td class="ca">780.279669</td><td class="ca">0.040331</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33965" target="_blank" class="btn">HMDB33965</a></td><td class="ca">C15H27NO10</td><td class="ca">381.163496089</td><td class="ca">2M+NH4</td><td class="ca">+</td><td class="ca">780.360815</td><td class="ca">0.040815</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB12364" target="_blank" class="btn">HMDB12364</a></td><td class="ca">C36H66NO10P</td><td class="ca">703.442433849</td><td class="ca">M+2K+H</td><td class="ca">+</td><td class="ca">780.361474</td><td class="ca">0.041474</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB12344" target="_blank" class="btn">HMDB12344</a></td><td class="ca">C36H66NO10P</td><td class="ca">703.442433849</td><td class="ca">M+2K+H</td><td class="ca">+</td><td class="ca">780.361474</td><td class="ca">0.041474</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB06606" target="_blank" class="btn">HMDB06606</a></td><td class="ca">C29H49NO23</td><td class="ca">779.269536879</td><td class="ca">M+H</td><td class="ca">+</td><td class="ca">780.276813</td><td class="ca">0.043187</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB13001" target="_blank" class="btn">HMDB13001</a></td><td class="ca">C54H92O46</td><td class="ca">1476.485975556</td><td class="ca">M+2ACN+2H</td><td class="ca">+</td><td class="ca">780.276811</td><td class="ca">0.043189</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB12201" target="_blank" class="btn">HMDB12201</a></td><td class="ca">C16H23N5O6</td><td class="ca">381.164833493</td><td class="ca">2M+NH4</td><td class="ca">+</td><td class="ca">780.36349</td><td class="ca">0.04349</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB41369" target="_blank" class="btn">HMDB41369</a></td><td class="ca">C16H23N5O6</td><td class="ca">381.164833493</td><td class="ca">2M+NH4</td><td class="ca">+</td><td class="ca">780.36349</td><td class="ca">0.04349</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB12202" target="_blank" class="btn">HMDB12202</a></td><td class="ca">C16H23N5O6</td><td class="ca">381.164833493</td><td class="ca">2M+NH4</td><td class="ca">+</td><td class="ca">780.36349</td><td class="ca">0.04349</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB12203" target="_blank" class="btn">HMDB12203</a></td><td class="ca">C16H23N5O6</td><td class="ca">381.164833493</td><td class="ca">2M+NH4</td><td class="ca">+</td><td class="ca">780.36349</td><td class="ca">0.04349</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB32000" target="_blank" class="btn">HMDB32000</a></td><td class="ca">C16H23N5O6</td><td class="ca">381.164833493</td><td class="ca">2M+NH4</td><td class="ca">+</td><td class="ca">780.36349</td><td class="ca">0.04349</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29401" target="_blank" class="btn">HMDB29401</a></td><td class="ca">C20H19NO6</td><td class="ca">369.121237345</td><td class="ca">2M+ACN+H</td><td class="ca">+</td><td class="ca">780.276298</td><td class="ca">0.043702</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33522" target="_blank" class="btn">HMDB33522</a></td><td class="ca">C21H19NO6</td><td class="ca">381.121237345</td><td class="ca">2M+NH4</td><td class="ca">+</td><td class="ca">780.276298</td><td class="ca">0.043702</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29360" target="_blank" class="btn">HMDB29360</a></td><td class="ca">C20H19NO6</td><td class="ca">369.121237345</td><td class="ca">2M+ACN+H</td><td class="ca">+</td><td class="ca">780.276298</td><td class="ca">0.043702</td></tr></tbody><tbody class="select" id="page-id-2"><tr class="white"><td class="ca" >mz_00005</td><td id="5" class="ca" >956.25</td><td class="ca" colspan="7"></td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35451" target="_blank" class="btn">HMDB35451</a></td><td class="ca">C43H49O23</td><td class="ca">933.266462874</td><td class="ca">M+Na</td><td class="ca">+</td><td class="ca">956.255681</td><td class="ca">0.005681</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB38095" target="_blank" class="btn">HMDB38095</a></td><td class="ca">C43H49O23</td><td class="ca">933.266462874</td><td class="ca">M+Na</td><td class="ca">+</td><td class="ca">956.255681</td><td class="ca">0.005681</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB40803" target="_blank" class="btn">HMDB40803</a></td><td class="ca">C22H22O10</td><td class="ca">446.121296924</td><td class="ca">2M+ACN+Na</td><td class="ca">+</td><td class="ca">956.258359</td><td class="ca">0.008359</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB02219" target="_blank" class="btn">HMDB02219</a></td><td class="ca">C22H22O10</td><td class="ca">446.121296924</td><td class="ca">2M+ACN+Na</td><td class="ca">+</td><td class="ca">956.258359</td><td class="ca">0.008359</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB38821" target="_blank" class="btn">HMDB38821</a></td><td class="ca">C22H22O10</td><td class="ca">446.121296924</td><td class="ca">2M+ACN+Na</td><td class="ca">+</td><td class="ca">956.258359</td><td class="ca">0.008359</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB40511" target="_blank" class="btn">HMDB40511</a></td><td class="ca">C22H22O10</td><td class="ca">446.121296924</td><td class="ca">2M+ACN+Na</td><td class="ca">+</td><td class="ca">956.258359</td><td class="ca">0.008359</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB34149" target="_blank" class="btn">HMDB34149</a></td><td class="ca">C22H22O10</td><td class="ca">446.121296924</td><td class="ca">2M+ACN+Na</td><td class="ca">+</td><td class="ca">956.258359</td><td class="ca">0.008359</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33990" target="_blank" class="btn">HMDB33990</a></td><td class="ca">C22H22O10</td><td class="ca">446.121296924</td><td class="ca">2M+ACN+Na</td><td class="ca">+</td><td class="ca">956.258359</td><td class="ca">0.008359</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35931" target="_blank" class="btn">HMDB35931</a></td><td class="ca">C22H22O10</td><td class="ca">446.121296924</td><td class="ca">2M+ACN+Na</td><td class="ca">+</td><td class="ca">956.258359</td><td class="ca">0.008359</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29617" target="_blank" class="btn">HMDB29617</a></td><td class="ca">C22H22O10</td><td class="ca">446.121296924</td><td class="ca">2M+ACN+Na</td><td class="ca">+</td><td class="ca">956.258359</td><td class="ca">0.008359</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB36630" target="_blank" class="btn">HMDB36630</a></td><td class="ca">C22H22O10</td><td class="ca">446.121296924</td><td class="ca">2M+ACN+Na</td><td class="ca">+</td><td class="ca">956.258359</td><td class="ca">0.008359</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB41455" target="_blank" class="btn">HMDB41455</a></td><td class="ca">C22H22O10</td><td class="ca">446.121296924</td><td class="ca">2M+ACN+Na</td><td class="ca">+</td><td class="ca">956.258359</td><td class="ca">0.008359</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB60157" target="_blank" class="btn">HMDB60157</a></td><td class="ca">C30H52N7O18P3S</td><td class="ca">923.230238121</td><td class="ca">M+CH3OH+H</td><td class="ca">+</td><td class="ca">956.263727</td><td class="ca">0.013727</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33021" target="_blank" class="btn">HMDB33021</a></td><td class="ca">C43H49O22</td><td class="ca">917.271548252</td><td class="ca">M+K</td><td class="ca">+</td><td class="ca">956.234706</td><td class="ca">0.015294</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB41153" target="_blank" class="btn">HMDB41153</a></td><td class="ca">C40H41O22</td><td class="ca">873.208947996</td><td class="ca">M+2ACN+H</td><td class="ca">+</td><td class="ca">956.269318</td><td class="ca">0.019318</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB60375" target="_blank" class="btn">HMDB60375</a></td><td class="ca">C35H54N7O19P3S</td><td class="ca">1001.240802807</td><td class="ca">M+2Na+H</td><td class="ca">+</td><td class="ca">956.269643</td><td class="ca">0.019643</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35163" target="_blank" class="btn">HMDB35163</a></td><td class="ca">C40H42O26</td><td class="ca">938.196431516</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">956.230255</td><td class="ca">0.019745</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29794" target="_blank" class="btn">HMDB29794</a></td><td class="ca">C40H42O26</td><td class="ca">938.196431516</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">956.230255</td><td class="ca">0.019745</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB04047" target="_blank" class="btn">HMDB04047</a></td><td class="ca">C27H44N7O19P3S</td><td class="ca">895.162552487</td><td class="ca">M+IsoProp+H</td><td class="ca">+</td><td class="ca">956.227892</td><td class="ca">0.022108</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB40378" target="_blank" class="btn">HMDB40378</a></td><td class="ca">C45H38O21</td><td class="ca">914.190558278</td><td class="ca">M+ACN+H</td><td class="ca">+</td><td class="ca">956.224381</td><td class="ca">0.025619</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB14756" target="_blank" class="btn">HMDB14756</a></td><td class="ca">C21H21ClN2O8</td><td class="ca">464.098643365</td><td class="ca">2M+3H2O+2H</td><td class="ca">+</td><td class="ca">956.220407</td><td class="ca">0.029593</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB12207" target="_blank" class="btn">HMDB12207</a></td><td class="ca">C28H42N7O17P3S</td><td class="ca">873.157073179</td><td class="ca">M+2ACN+H</td><td class="ca">+</td><td class="ca">956.217443</td><td class="ca">0.032557</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35883" target="_blank" class="btn">HMDB35883</a></td><td class="ca">C21H20O12</td><td class="ca">464.095476104</td><td class="ca">2M+3H2O+2H</td><td class="ca">+</td><td class="ca">956.214072</td><td class="ca">0.035928</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB37932" target="_blank" class="btn">HMDB37932</a></td><td class="ca">C21H20O12</td><td class="ca">464.095476104</td><td class="ca">2M+3H2O+2H</td><td class="ca">+</td><td class="ca">956.214072</td><td class="ca">0.035928</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB34725" target="_blank" class="btn">HMDB34725</a></td><td class="ca">C21H20O12</td><td class="ca">464.095476104</td><td class="ca">2M+3H2O+2H</td><td class="ca">+</td><td class="ca">956.214072</td><td class="ca">0.035928</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33132" target="_blank" class="btn">HMDB33132</a></td><td class="ca">C21H20O12</td><td class="ca">464.095476104</td><td class="ca">2M+3H2O+2H</td><td class="ca">+</td><td class="ca">956.214072</td><td class="ca">0.035928</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB40478" target="_blank" class="btn">HMDB40478</a></td><td class="ca">C21H20O12</td><td class="ca">464.095476104</td><td class="ca">2M+3H2O+2H</td><td class="ca">+</td><td class="ca">956.214072</td><td class="ca">0.035928</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB34360" target="_blank" class="btn">HMDB34360</a></td><td class="ca">C21H20O12</td><td class="ca">464.095476104</td><td class="ca">2M+3H2O+2H</td><td class="ca">+</td><td class="ca">956.214072</td><td class="ca">0.035928</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB37362" target="_blank" class="btn">HMDB37362</a></td><td class="ca">C21H20O12</td><td class="ca">464.095476104</td><td class="ca">2M+3H2O+2H</td><td class="ca">+</td><td class="ca">956.214072</td><td class="ca">0.035928</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB30775" target="_blank" class="btn">HMDB30775</a></td><td class="ca">C21H20O12</td><td class="ca">464.095476104</td><td class="ca">2M+3H2O+2H</td><td class="ca">+</td><td class="ca">956.214072</td><td class="ca">0.035928</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB30747" target="_blank" class="btn">HMDB30747</a></td><td class="ca">C22H24O11</td><td class="ca">464.13186161</td><td class="ca">2M+3H2O+2H</td><td class="ca">+</td><td class="ca">956.286843</td><td class="ca">0.036843</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB37535" target="_blank" class="btn">HMDB37535</a></td><td class="ca">C22H24O11</td><td class="ca">464.13186161</td><td class="ca">2M+3H2O+2H</td><td class="ca">+</td><td class="ca">956.286843</td><td class="ca">0.036843</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB14927" target="_blank" class="btn">HMDB14927</a></td><td class="ca">C28H54GdN5O20</td><td class="ca">938.260314726</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">956.294138</td><td class="ca">0.044138</td></tr><tr class="green"><td class="ca" >mz_00006</td><td id="6" class="ca" >1100.45</td><td class="ca" colspan="7"></td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB60499" target="_blank" class="btn">HMDB60499</a></td><td class="ca">C28H30N4O6</td><td class="ca">518.216534712</td><td class="ca">2M+ACN+Na</td><td class="ca">+</td><td class="ca">1100.448834</td><td class="ca">0.001166</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB32198" target="_blank" class="btn">HMDB32198</a></td><td class="ca">C30H34Cl2N4O</td><td class="ca">536.210967144</td><td class="ca">2M+3H2O+2H</td><td class="ca">+</td><td class="ca">1100.445054</td><td class="ca">0.004946</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB06568" target="_blank" class="btn">HMDB06568</a></td><td class="ca">C20H35NO15</td><td class="ca">529.200669455</td><td class="ca">2M+ACN+H</td><td class="ca">+</td><td class="ca">1100.435162</td><td class="ca">0.014838</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB02060" target="_blank" class="btn">HMDB02060</a></td><td class="ca">C20H35NO15</td><td class="ca">529.200669455</td><td class="ca">2M+ACN+H</td><td class="ca">+</td><td class="ca">1100.435162</td><td class="ca">0.014838</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB06582" target="_blank" class="btn">HMDB06582</a></td><td class="ca">C20H35NO15</td><td class="ca">529.200669455</td><td class="ca">2M+ACN+H</td><td class="ca">+</td><td class="ca">1100.435162</td><td class="ca">0.014838</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB10345" target="_blank" class="btn">HMDB10345</a></td><td class="ca">C27H36O11</td><td class="ca">536.225761994</td><td class="ca">2M+3H2O+2H</td><td class="ca">+</td><td class="ca">1100.474644</td><td class="ca">0.024644</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB36888" target="_blank" class="btn">HMDB36888</a></td><td class="ca">C27H36O11</td><td class="ca">536.225761994</td><td class="ca">2M+3H2O+2H</td><td class="ca">+</td><td class="ca">1100.474644</td><td class="ca">0.024644</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB39422" target="_blank" class="btn">HMDB39422</a></td><td class="ca">C48H64N11O18</td><td class="ca">1082.443079299</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">1100.476902</td><td class="ca">0.026902</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35520" target="_blank" class="btn">HMDB35520</a></td><td class="ca">C24H38O12</td><td class="ca">518.23632668</td><td class="ca">2M+ACN+Na</td><td class="ca">+</td><td class="ca">1100.488418</td><td class="ca">0.038418</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB38923" target="_blank" class="btn">HMDB38923</a></td><td class="ca">C24H38O12</td><td class="ca">518.23632668</td><td class="ca">2M+ACN+Na</td><td class="ca">+</td><td class="ca">1100.488418</td><td class="ca">0.038418</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB29773" target="_blank" class="btn">HMDB29773</a></td><td class="ca">C24H38O12</td><td class="ca">518.23632668</td><td class="ca">2M+ACN+Na</td><td class="ca">+</td><td class="ca">1100.488418</td><td class="ca">0.038418</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB15455" target="_blank" class="btn">HMDB15455</a></td><td class="ca">C53H67N9O10S</td><td class="ca">1021.473160099</td><td class="ca">M+DMSO+H</td><td class="ca">+</td><td class="ca">1100.49438</td><td class="ca">0.04438</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB40723" target="_blank" class="btn">HMDB40723</a></td><td class="ca">C30H30O8</td><td class="ca">518.194067936</td><td class="ca">2M+ACN+Na</td><td class="ca">+</td><td class="ca">1100.403901</td><td class="ca">0.046099</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB01980" target="_blank" class="btn">HMDB01980</a></td><td class="ca">C46H65N13O12S2</td><td class="ca">1055.431705989</td><td class="ca">M+2Na-H</td><td class="ca">+</td><td class="ca">1100.402866</td><td class="ca">0.047134</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33282" target="_blank" class="btn">HMDB33282</a></td><td class="ca">C26H32O12</td><td class="ca">536.189376488</td><td class="ca">2M+3H2O+2H</td><td class="ca">+</td><td class="ca">1100.401873</td><td class="ca">0.048127</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33281" target="_blank" class="btn">HMDB33281</a></td><td class="ca">C26H32O12</td><td class="ca">536.189376488</td><td class="ca">2M+3H2O+2H</td><td class="ca">+</td><td class="ca">1100.401873</td><td class="ca">0.048127</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB15595" target="_blank" class="btn">HMDB15595</a></td><td class="ca">C28H22F3N7O</td><td class="ca">529.183792976</td><td class="ca">2M+ACN+H</td><td class="ca">+</td><td class="ca">1100.401409</td><td class="ca">0.048591</td></tr></tbody></table></div><div class="container"><hr><footer><div class="row">  <div class="col-lg-12"><p>Copyright &copy; INRA, N Paulhe, F Giacomoni 2014 </p>  </div> </div> </footer></div><script language="javascript">$(function() {$('#choose').pagination({items: 2,itemsOnPage: 1,currentPage: 1,onInit: function () { test(1); },cssStyle: 'light-theme',onPageClick: function(pageNumber){test(pageNumber)}}).pagination('redraw');});</script></body></html>
\ No newline at end of file
--- a/hmdb/test_data/out_test03.tsv	Thu Jan 28 10:52:26 2016 -0500
+++ /dev/null	Thu Jan 01 00:00:00 1970 +0000
@@ -1,1116 +0,0 @@
-ID	MASS_SUBMIT	HMDB_ID	CPD_FORMULA	CPD_MW	DELTA
-mz_00001	175.01	HMDB60293	H2O3S2	113.94453531	0.000125
-mz_00001	175.01	HMDB03745	C2H6O3S2	141.975835438	0.000676
-mz_00001	175.01	HMDB31436	H4O4Si	95.987885149	0.000895
-mz_00001	175.01	HMDB33657	C17H10O6	310.047738052	0.000914
-mz_00001	175.01	HMDB35230	C17H10O6	310.047738052	0.000914
-mz_00001	175.01	HMDB34155	CH4N2S	76.009518828	0.001744
-mz_00001	175.01	HMDB01570	C10H13N2O7P	304.046037292	0.002237
-mz_00001	175.01	HMDB01270	C3H8O10P2	265.9592695	0.003458
-mz_00001	175.01	HMDB01294	C3H8O10P2	265.9592695	0.003458
-mz_00001	175.01	HMDB60394	C9H12FN2O8P	326.031530087	0.004012
-mz_00001	175.01	HMDB60015	C6H6O4S	173.99867937	0.004045
-mz_00001	175.01	HMDB00021	C9H10INO3	306.970536611	0.004182
-mz_00001	175.01	HMDB15167	C5H4N4S	152.015666838	0.005115
-mz_00001	175.01	HMDB40364	C3H7MnO6P	224.936074104	0.005134
-mz_00001	175.01	HMDB62056	C6H7O4P	174.008195703	0.005472
-mz_00001	175.01	HMDB41485	C8H8O2	136.0524295	0.005588
-mz_00001	175.01	HMDB00209	C8H8O2	136.0524295	0.005588
-mz_00001	175.01	HMDB06853	C4H4O	68.02621475	0.005588
-mz_00001	175.01	HMDB03767	C8H8O2	136.0524295	0.005588
-mz_00001	175.01	HMDB40733	C8H8O2	136.0524295	0.005588
-mz_00001	175.01	HMDB38176	C8H8O2	136.0524295	0.005588
-mz_00001	175.01	HMDB33968	C8H8O2	136.0524295	0.005588
-mz_00001	175.01	HMDB29635	C8H8O2	136.0524295	0.005588
-mz_00001	175.01	HMDB33128	C8H8O2	136.0524295	0.005588
-mz_00001	175.01	HMDB33766	C8H8O2	136.0524295	0.005588
-mz_00001	175.01	HMDB40638	C8H8O2	136.0524295	0.005588
-mz_00001	175.01	HMDB32568	C8H8O2	136.0524295	0.005588
-mz_00001	175.01	HMDB29686	C8H8O2	136.0524295	0.005588
-mz_00001	175.01	HMDB32603	C8H8O2	136.0524295	0.005588
-mz_00001	175.01	HMDB32400	C8H8O2	136.0524295	0.005588
-mz_00001	175.01	HMDB31459	C8H8O2	136.0524295	0.005588
-mz_00001	175.01	HMDB13785	C4H4O	68.02621475	0.005588
-mz_00001	175.01	HMDB02340	C8H8O2	136.0524295	0.005588
-mz_00001	175.01	HMDB14912	C8H8F3N3O4S2	330.990831754	0.005966
-mz_00001	175.01	HMDB60764	C16H11ClN4O	310.062138701	0.006286
-mz_00001	175.01	HMDB40238	C6H10OS	130.045235632	0.006396
-mz_00001	175.01	HMDB31370	C6H10OS	130.045235632	0.006396
-mz_00001	175.01	HMDB37493	C6H10OS	130.045235632	0.006396
-mz_00001	175.01	HMDB37787	C5H10N2	98.08439833	0.006562
-mz_00001	175.01	HMDB61807	C10H9Cl3O2	265.966812653	0.007229
-mz_00001	175.01	HMDB59985	C11H12O8S	304.02528805	0.008138
-mz_00001	175.01	HMDB59987	C11H12O8S	304.02528805	0.008138
-mz_00001	175.01	HMDB60020	C11H12O8S	304.02528805	0.008138
-mz_00001	175.01	HMDB14581	C5H4N4O	136.03851077	0.008331
-mz_00001	175.01	HMDB00157	C5H4N4O	136.03851077	0.008331
-mz_00001	175.01	HMDB40631	C15H12O7	304.058302738	0.008369
-mz_00001	175.01	HMDB31778	C14H9ClF2N2O2	310.032061659	0.008752
-mz_00001	175.01	HMDB31160	C5H12S2	136.038041764	0.0088
-mz_00001	175.01	HMDB33053	C5H12S2	136.038041764	0.0088
-mz_00001	175.01	HMDB33054	C5H12S2	136.038041764	0.0088
-mz_00001	175.01	HMDB29694	C8H8OS	152.029585568	0.008804
-mz_00001	175.01	HMDB29783	C14H14O8	310.068867424	0.009651
-mz_00001	175.01	HMDB00613	C4H8O5	136.037173366	0.009669
-mz_00001	175.01	HMDB00943	C4H8O5	136.037173366	0.009669
-mz_00001	175.01	HMDB00115	C2H4O3	76.016043994	0.011306
-mz_00001	175.01	HMDB31608	C2H4O3	76.016043994	0.011306
-mz_00001	175.01	HMDB41797	C8H6Cl2O3	219.969399472	0.011761
-mz_00001	175.01	HMDB15413	C12H14N4O4S	310.073575646	0.012005
-mz_00001	175.01	HMDB15621	C12H14N4O4S	310.073575646	0.012005
-mz_00001	175.01	HMDB31825	C8H8S	136.034670946	0.012171
-mz_00001	175.01	HMDB31781	C14H15O2PS2	310.025107616	0.012229
-mz_00001	175.01	HMDB00634	C5H6O4	130.02660868	0.012231
-mz_00001	175.01	HMDB00620	C5H6O4	130.02660868	0.012231
-mz_00001	175.01	HMDB61185	C5H6O4	130.02660868	0.012231
-mz_00001	175.01	HMDB00749	C5H6O4	130.02660868	0.012231
-mz_00001	175.01	HMDB02092	C5H6O4	130.02660868	0.012231
-mz_00001	175.01	HMDB33809	C5H6O4	130.02660868	0.012231
-mz_00001	175.01	HMDB13233	C5H6O4	130.02660868	0.012231
-mz_00001	175.01	HMDB59743	C5H6O4	130.02660868	0.012231
-mz_00001	175.01	HMDB60365	C5H6O4	130.02660868	0.012231
-mz_00001	175.01	HMDB60689	C4H11Cl2N2O2P	219.993519532	0.01236
-mz_00001	175.01	HMDB60691	C4H11Cl2N2O2P	219.993519532	0.01236
-mz_00001	175.01	HMDB00292	C5H4N4O2	152.033425392	0.012643
-mz_00001	175.01	HMDB00786	C5H4N4O2	152.033425392	0.012643
-mz_00001	175.01	HMDB01182	C5H4N4O2	152.033425392	0.012643
-mz_00001	175.01	HMDB00072	C6H6O6	174.016437924	0.013714
-mz_00001	175.01	HMDB00958	C6H6O6	174.016437924	0.013714
-mz_00001	175.01	HMDB01264	C6H6O6	174.016437924	0.013714
-mz_00001	175.01	HMDB61101	C11H10BrN5O	307.006872614	0.013986
-mz_00001	175.01	HMDB01520	C17H21N4O9P	456.104614802	0.01409
-mz_00001	175.01	HMDB37945	C23H20O10	456.10564686	0.014434
-mz_00001	175.01	HMDB39328	C23H20O10	456.10564686	0.014434
-mz_00001	175.01	HMDB40200	C7H10OS2	174.017306322	0.014582
-mz_00001	175.01	HMDB29614	C13H21O2PS2	304.072057808	0.015247
-mz_00001	175.01	HMDB32909	C19H12O4	304.073558872	0.015997
-mz_00001	175.01	HMDB38322	C19H12O4	304.073558872	0.015997
-mz_00001	175.01	HMDB41450	C19H12O4	304.073558872	0.015997
-mz_00001	175.01	HMDB15176	C13H18Cl2N2O2	304.074533244	0.016485
-mz_00001	175.01	HMDB03152	C7H8N2O	136.063662888	0.016821
-mz_00001	175.01	HMDB33947	C7H8N2O	136.063662888	0.016821
-mz_00001	175.01	HMDB37819	C7H8N2O	136.063662888	0.016821
-mz_00001	175.01	HMDB30001	C7H8N2O	136.063662888	0.016821
-mz_00001	175.01	HMDB59711	C7H8N2O	136.063662888	0.016821
-mz_00001	175.01	HMDB40357	C18H14O5	310.084123558	0.017279
-mz_00001	175.01	HMDB03315	C6H10O	98.073164942	0.017795
-mz_00001	175.01	HMDB31563	C6H10O	98.073164942	0.017795
-mz_00001	175.01	HMDB30332	C6H10O	98.073164942	0.017795
-mz_00001	175.01	HMDB31564	C6H10O	98.073164942	0.017795
-mz_00001	175.01	HMDB33714	C6H10O	98.073164942	0.017795
-mz_00001	175.01	HMDB33549	C6H10O	98.073164942	0.017795
-mz_00001	175.01	HMDB31498	C6H10O	98.073164942	0.017795
-mz_00001	175.01	HMDB31497	C6H10O	98.073164942	0.017795
-mz_00001	175.01	HMDB31196	C6H10O	98.073164942	0.017795
-mz_00001	175.01	HMDB31496	C6H10O	98.073164942	0.017795
-mz_00001	175.01	HMDB35239	C6H10O	98.073164942	0.017795
-mz_00001	175.01	HMDB40264	C6H10O	98.073164942	0.017795
-mz_00001	175.01	HMDB40271	C6H10O	98.073164942	0.017795
-mz_00001	175.01	HMDB62031	C6H10O	98.073164942	0.017795
-mz_00001	175.01	HMDB62127	C6H10O	98.073164942	0.017795
-mz_00001	175.01	HMDB62136	C7H14	98.109550448	0.01859
-mz_00001	175.01	HMDB61783	C7H14	98.109550448	0.01859
-mz_00001	175.01	HMDB61892	C7H14	98.109550448	0.01859
-mz_00001	175.01	HMDB61893	C7H14	98.109550448	0.01859
-mz_00001	175.01	HMDB61895	C7H14	98.109550448	0.01859
-mz_00001	175.01	HMDB61894	C7H14	98.109550448	0.01859
-mz_00001	175.01	HMDB15679	C13H8Cl2N2O4	325.986112168	0.018697
-mz_00001	175.01	HMDB61135	C16H17ClN2S	304.080096951	0.019266
-mz_00001	175.01	HMDB29199	C14H14O9	326.063782046	0.020138
-mz_00001	175.01	HMDB12152	C9H17O12P	348.04576252	0.020157
-mz_00001	175.01	HMDB00175	C10H13N4O8P	348.047099924	0.020826
-mz_00001	175.01	HMDB11681	C10H13N4O8P	348.047099924	0.020826
-mz_00001	175.01	HMDB14684	C4H3FN2O2	130.017855555	0.020984
-mz_00001	175.01	HMDB39638	C9H6N2S	174.025168892	0.022445
-mz_00001	175.01	HMDB60086	C18H24N4O8S	456.131484454	0.023046
-mz_00001	175.01	HMDB14649	C12H9N3O5S	307.026291103	0.023696
-mz_00001	175.01	HMDB00695	C6H10O3	130.062994186	0.024154
-mz_00001	175.01	HMDB00408	C6H10O3	130.062994186	0.024154
-mz_00001	175.01	HMDB00491	C6H10O3	130.062994186	0.024154
-mz_00001	175.01	HMDB01864	C6H10O3	130.062994186	0.024154
-mz_00001	175.01	HMDB06024	C6H10O3	130.062994186	0.024154
-mz_00001	175.01	HMDB10717	C6H10O3	130.062994186	0.024154
-mz_00001	175.01	HMDB33302	C6H10O3	130.062994186	0.024154
-mz_00001	175.01	HMDB33286	C6H10O3	130.062994186	0.024154
-mz_00001	175.01	HMDB31216	C6H10O3	130.062994186	0.024154
-mz_00001	175.01	HMDB31218	C6H10O3	130.062994186	0.024154
-mz_00001	175.01	HMDB33698	C6H10O3	130.062994186	0.024154
-mz_00001	175.01	HMDB31214	C6H10O3	130.062994186	0.024154
-mz_00001	175.01	HMDB59876	C6H10O3	130.062994186	0.024154
-mz_00001	175.01	HMDB12882	C6H10O3	130.062994186	0.024154
-mz_00001	175.01	HMDB61881	C6H10O3	130.062994186	0.024154
-mz_00001	175.01	HMDB59664	C4H8O2S2	151.99657088	0.024211
-mz_00001	175.01	HMDB31188	C2H4OS	75.99828544	0.024211
-mz_00001	175.01	HMDB35716	C4H8O2S2	151.99657088	0.024211
-mz_00001	175.01	HMDB33670	C4H8O2S2	151.99657088	0.024211
-mz_00001	175.01	HMDB01067	C11H16N2O8	304.090665498	0.024551
-mz_00001	175.01	HMDB02818	C4H2N2O4	142.001456562	0.024946
-mz_00001	175.01	HMDB38442	C4H7NS2	133.001990609	0.025814
-mz_00001	175.01	HMDB00703	C8H8O3	152.047344122	0.026562
-mz_00001	175.01	HMDB01101	C8H8O3	152.047344122	0.026562
-mz_00001	175.01	HMDB00020	C8H8O3	152.047344122	0.026562
-mz_00001	175.01	HMDB00440	C8H8O3	152.047344122	0.026562
-mz_00001	175.01	HMDB00669	C8H8O3	152.047344122	0.026562
-mz_00001	175.01	HMDB02390	C8H8O3	152.047344122	0.026562
-mz_00001	175.01	HMDB03791	C8H8O3	152.047344122	0.026562
-mz_00001	175.01	HMDB04815	C8H8O3	152.047344122	0.026562
-mz_00001	175.01	HMDB12308	C8H8O3	152.047344122	0.026562
-mz_00001	175.01	HMDB30662	C16H16O6	304.094688244	0.026562
-mz_00001	175.01	HMDB41507	C16H16O6	304.094688244	0.026562
-mz_00001	175.01	HMDB36907	C8H8O3	152.047344122	0.026562
-mz_00001	175.01	HMDB32919	C8H8O3	152.047344122	0.026562
-mz_00001	175.01	HMDB41283	C8H8O3	152.047344122	0.026562
-mz_00001	175.01	HMDB29657	C8H8O3	152.047344122	0.026562
-mz_00001	175.01	HMDB32606	C8H8O3	152.047344122	0.026562
-mz_00001	175.01	HMDB34172	C8H8O3	152.047344122	0.026562
-mz_00001	175.01	HMDB30745	C16H16O6	304.094688244	0.026562
-mz_00001	175.01	HMDB32604	C8H8O3	152.047344122	0.026562
-mz_00001	175.01	HMDB29661	C8H8O3	152.047344122	0.026562
-mz_00001	175.01	HMDB29662	C8H8O3	152.047344122	0.026562
-mz_00001	175.01	HMDB32572	C8H8O3	152.047344122	0.026562
-mz_00001	175.01	HMDB32629	C8H8O3	152.047344122	0.026562
-mz_00001	175.01	HMDB33003	C8H8O3	152.047344122	0.026562
-mz_00001	175.01	HMDB41294	C16H16O6	304.094688244	0.026562
-mz_00001	175.01	HMDB32594	C8H8O3	152.047344122	0.026562
-mz_00001	175.01	HMDB31609	C8H8O3	152.047344122	0.026562
-mz_00001	175.01	HMDB29658	C8H8O3	152.047344122	0.026562
-mz_00001	175.01	HMDB29659	C8H8O3	152.047344122	0.026562
-mz_00001	175.01	HMDB33866	C16H16O6	304.094688244	0.026562
-mz_00001	175.01	HMDB29660	C8H8O3	152.047344122	0.026562
-mz_00001	175.01	HMDB32399	C8H8O3	152.047344122	0.026562
-mz_00001	175.01	HMDB38519	C16H16O6	304.094688244	0.026562
-mz_00001	175.01	HMDB29179	C16H16O6	304.094688244	0.026562
-mz_00001	175.01	HMDB29175	C16H16O6	304.094688244	0.026562
-mz_00001	175.01	HMDB29228	C16H16O6	304.094688244	0.026562
-mz_00001	175.01	HMDB29231	C16H16O6	304.094688244	0.026562
-mz_00001	175.01	HMDB60390	C8H8O3	152.047344122	0.026562
-mz_00001	175.01	HMDB62005	C8H8O3	152.047344118	0.026562
-mz_00001	175.01	HMDB11659	C5H12O4	136.073558872	0.026717
-mz_00001	175.01	HMDB33919	C5H12O4	136.073558872	0.026717
-mz_00001	175.01	HMDB31201	C5H12O4	136.073558872	0.026717
-mz_00001	175.01	HMDB14805	C5H15N3O8P2	307.033437495	0.027269
-mz_00001	175.01	HMDB00973	HO4P	95.961245032	0.027535
-mz_00001	175.01	HMDB36343	C18H14O6	326.07903818	0.027766
-mz_00001	175.01	HMDB33100	C18H14O6	326.07903818	0.027766
-mz_00001	175.01	HMDB37570	C18H14O6	326.07903818	0.027766
-mz_00001	175.01	HMDB30590	C18H14O6	326.07903818	0.027766
-mz_00001	175.01	HMDB35880	C15H18O7	310.10525293	0.027843
-mz_00001	175.01	HMDB30293	C15H18O7	310.10525293	0.027843
-mz_00001	175.01	HMDB39958	C15H18O7	310.10525293	0.027843
-mz_00001	175.01	HMDB01216	C6H8N4	136.074896276	0.028054
-mz_00001	175.01	HMDB01525	C3H4N2	68.037448138	0.028054
-mz_00001	175.01	HMDB30577	C10H6O3	174.031694058	0.02897
-mz_00001	175.01	HMDB30773	C10H6O3	174.031694058	0.02897
-mz_00001	175.01	HMDB59586	C8HF17O3S	499.937494073	0.029579
-mz_00001	175.01	HMDB32943	C12H21N2O3PS	304.10104975	0.029743
-mz_00001	175.01	HMDB33548	C5H6O2S	130.008850126	0.02999
-mz_00001	175.01	HMDB34073	C10H16N4O7	304.101898886	0.030167
-mz_00001	175.01	HMDB39723	C11H18O11	326.084911418	0.030703
-mz_00001	175.01	HMDB40737	C11H18O11	326.084911418	0.030703
-mz_00001	175.01	HMDB60455	C6H3ClO4	173.971986291	0.030738
-mz_00001	175.01	HMDB38263	C23H22O14	522.100955412	0.030928
-mz_00001	175.01	HMDB37457	C23H22O14	522.100955412	0.030928
-mz_00001	175.01	HMDB35462	C23H22O14	522.100955412	0.030928
-mz_00001	175.01	HMDB38262	C23H22O14	522.100955412	0.030928
-mz_00001	175.01	HMDB12916	CH2NO2S	91.980624003	0.030994
-mz_00001	175.01	HMDB11688	C5H12O11P2	309.98548425	0.032041
-mz_00001	175.01	HMDB38665	C15H16N2O5	304.105921632	0.032179
-mz_00001	175.01	HMDB61312	C15H14ClNO2S	307.043377094	0.032239
-mz_00001	175.01	HMDB37731	C6H6O2S	142.008850126	0.032339
-mz_00001	175.01	HMDB37762	C6H6O2S	142.008850126	0.032339
-mz_00001	175.01	HMDB29719	C6H6O2S	142.008850126	0.032339
-mz_00001	175.01	HMDB60503	C5H4O2	96.021129372	0.032349
-mz_00001	175.01	HMDB32914	C5H4O2	96.021129372	0.032349
-mz_00001	175.01	HMDB62029	C5H4O2	96.021129369	0.032349
-mz_00001	175.01	HMDB01059	C6H16O18P4	499.928709756	0.032507
-mz_00001	175.01	HMDB01187	C6H16O18P4	499.928709756	0.032507
-mz_00001	175.01	HMDB03848	C6H16O18P4	499.928709756	0.032507
-mz_00001	175.01	HMDB04527	C6H16O18P4	499.928709756	0.032507
-mz_00001	175.01	HMDB11741	C14H18N2O6	310.116486318	0.03346
-mz_00001	175.01	HMDB15140	CH4N2O2	76.027277382	0.033773
-mz_00001	175.01	HMDB34833	H8N2S	68.040818956	0.034796
-mz_00001	175.01	HMDB33956	C4H7Cl2O4P	219.945900638	0.035259
-mz_00001	175.01	HMDB29396	C5H10N2O2	130.074227574	0.035388
-mz_00001	175.01	HMDB30405	C5H10N2O2	130.074227574	0.035388
-mz_00001	175.01	HMDB36635	C19H18O4	310.120509064	0.035472
-mz_00001	175.01	HMDB41298	C19H18O4	310.120509064	0.035472
-mz_00001	175.01	HMDB33310	C19H18O4	310.120509064	0.035472
-mz_00001	175.01	HMDB31744	C19H18O4	310.120509064	0.035472
-mz_00001	175.01	HMDB00839	C20H14N4	310.121846468	0.03614
-mz_00001	175.01	HMDB39926	C22H28O11S	500.135232428	0.036334
-mz_00001	175.01	HMDB01448	O4S	95.951729178	0.037051
-mz_00001	175.01	HMDB15102	C19H19ClN2	310.123676325	0.037055
-mz_00001	175.01	HMDB04230	C5H5NO2	111.032028409	0.037793
-mz_00001	175.01	HMDB38175	C5H5NO2	111.032028409	0.037793
-mz_00001	175.01	HMDB04194	C7H8N2O2	152.05857751	0.037796
-mz_00001	175.01	HMDB04193	C7H8N2O2	152.05857751	0.037796
-mz_00001	175.01	HMDB33581	C15H18O8	326.100167552	0.038331
-mz_00001	175.01	HMDB39509	C15H18O8	326.100167552	0.038331
-mz_00001	175.01	HMDB39167	C15H18O8	326.100167552	0.038331
-mz_00001	175.01	HMDB39169	C15H18O8	326.100167552	0.038331
-mz_00001	175.01	HMDB36936	C15H18O8	326.100167552	0.038331
-mz_00001	175.01	HMDB36735	C15H18O8	326.100167552	0.038331
-mz_00001	175.01	HMDB60077	C15H18O8	326.100167552	0.038331
-mz_00001	175.01	HMDB36981	C25H28O8	456.178417872	0.038691
-mz_00001	175.01	HMDB01202	C9H14N3O7P	307.056936329	0.039018
-mz_00001	175.01	HMDB60488	CH4Se	95.947821956	0.040958
-mz_00001	175.01	HMDB30879	C2H6SSe	141.93554271	0.040968
-mz_00001	175.01	HMDB03638	Cd	113.903358121	0.041302
-mz_00001	175.01	HMDB14694	C15H13N3O4S	331.062676609	0.041888
-mz_00001	175.01	HMDB34416	C4H8S3	151.978812326	0.04197
-mz_00001	175.01	HMDB37290	C4H8S3	151.978812326	0.04197
-mz_00001	175.01	HMDB31470	C4H8S3	151.978812326	0.04197
-mz_00001	175.01	HMDB31628	C9H12O	136.088815006	0.041973
-mz_00001	175.01	HMDB34378	C9H12O	136.088815006	0.041973
-mz_00001	175.01	HMDB31627	C9H12O	136.088815006	0.041973
-mz_00001	175.01	HMDB33962	C9H12O	136.088815006	0.041973
-mz_00001	175.01	HMDB31312	C9H12O	136.088815006	0.041973
-mz_00001	175.01	HMDB38985	C9H12O	136.088815006	0.041973
-mz_00001	175.01	HMDB32621	C9H12O	136.088815006	0.041973
-mz_00001	175.01	HMDB38988	C9H12O	136.088815006	0.041973
-mz_00001	175.01	HMDB32624	C9H12O	136.088815006	0.041973
-mz_00001	175.01	HMDB38986	C9H12O	136.088815006	0.041973
-mz_00001	175.01	HMDB39782	C9H12O	136.088815006	0.041973
-mz_00001	175.01	HMDB29667	C9H12O	136.088815006	0.041973
-mz_00001	175.01	HMDB32625	C9H12O	136.088815006	0.041973
-mz_00001	175.01	HMDB32149	C9H12O	136.088815006	0.041973
-mz_00001	175.01	HMDB32029	C9H12O	136.088815006	0.041973
-mz_00001	175.01	HMDB38987	C9H12O	136.088815006	0.041973
-mz_00001	175.01	HMDB38984	C9H12O	136.088815006	0.041973
-mz_00001	175.01	HMDB32544	C9H12O	136.088815006	0.041973
-mz_00001	175.01	HMDB31446	C9H12O	136.088815006	0.041973
-mz_00001	175.01	HMDB32441	C9H12O	136.088815006	0.041973
-mz_00001	175.01	HMDB59896	C9H12O	136.088815006	0.041973
-mz_00001	175.01	HMDB34894	C12H20N2O7	304.127051004	0.042744
-mz_00001	175.01	HMDB38696	C12H20N2O7	304.127051004	0.042744
-mz_00001	175.01	HMDB33909	C12H20N2O7	304.127051004	0.042744
-mz_00001	175.01	HMDB31537	C7H14S	130.081621138	0.042781
-mz_00001	175.01	HMDB02332	C3H4O5S	151.977943928	0.042838
-mz_00001	175.01	HMDB60768	C4H6N2O	98.048012824	0.042947
-mz_00001	175.01	HMDB37336	C24H26O13	522.137340918	0.043056
-mz_00001	175.01	HMDB33705	C24H26O13	522.137340918	0.043056
-mz_00001	175.01	HMDB62164	C4H7NO2S	133.019749643	0.043573
-mz_00001	175.01	HMDB12236	C6H9N2O5P	220.02490792	0.043748
-mz_00001	175.01	HMDB39123	C14H18N2O7	326.11140094	0.043947
-mz_00001	175.01	HMDB14843	C22H28N6O3S	456.194359482	0.044004
-mz_00001	175.01	HMDB39777	C28H24N2O7	500.158351132	0.04404
-mz_00001	175.01	HMDB00905	C10H14N5O6P	331.068169717	0.044635
-mz_00001	175.01	HMDB37494	C17H20O5	304.13107375	0.044755
-mz_00001	175.01	HMDB35790	C17H20O5	304.13107375	0.044755
-mz_00001	175.01	HMDB29305	C17H20O5	304.13107375	0.044755
-mz_00001	175.01	HMDB32956	C12H10O7	266.042652674	0.045149
-mz_00001	175.01	HMDB32746	C4H8OS2	136.001656258	0.045186
-mz_00001	175.01	HMDB32747	C4H8OS2	136.001656258	0.045186
-mz_00001	175.01	HMDB32744	C4H8OS2	136.001656258	0.045186
-mz_00001	175.01	HMDB32745	C4H8OS2	136.001656258	0.045186
-mz_00001	175.01	HMDB34015	C19H18O5	326.115423686	0.045959
-mz_00001	175.01	HMDB30606	C19H18O5	326.115423686	0.045959
-mz_00001	175.01	HMDB30605	C19H18O5	326.115423686	0.045959
-mz_00001	175.01	HMDB40315	C19H18O5	326.115423686	0.045959
-mz_00001	175.01	HMDB40313	C19H18O5	326.115423686	0.045959
-mz_00001	175.01	HMDB41299	C19H18O5	326.115423686	0.045959
-mz_00001	175.01	HMDB40930	C19H18O5	326.115423686	0.045959
-mz_00001	175.01	HMDB34279	C19H18O5	326.115423686	0.045959
-mz_00001	175.01	HMDB00508	C5H12O5	152.068473494	0.047691
-mz_00001	175.01	HMDB00568	C5H12O5	152.068473494	0.047691
-mz_00001	175.01	HMDB01851	C5H12O5	152.068473494	0.047691
-mz_00001	175.01	HMDB02917	C5H12O5	152.068473494	0.047691
-mz_00001	175.01	HMDB33730	C5H12O5	152.068473494	0.047691
-mz_00001	175.01	HMDB39788	C5H6S2	129.991091572	0.047748
-mz_00001	175.01	HMDB39787	C5H6S2	129.991091572	0.047748
-mz_00001	175.01	HMDB31853	C5H6S2	129.991091572	0.047748
-mz_00001	175.01	HMDB32939	C5H6S2	129.991091572	0.047748
-mz_00001	175.01	HMDB14118	C2HF3O2	113.992863891	0.048204
-mz_00001	175.01	HMDB31238	C3H8S	76.034670946	0.04856
-mz_00001	175.01	HMDB31634	C3H8S	76.034670946	0.04856
-mz_00001	175.01	HMDB34238	C3H8S	76.034670946	0.04856
-mz_00001	175.01	HMDB15583	C22H18N2	310.146998586	0.048716
-mz_00001	175.01	HMDB06590	C12H22O10	326.121296924	0.048895
-mz_00001	175.01	HMDB06701	C12H22O10	326.121296924	0.048895
-mz_00001	175.01	HMDB29523	C12H22O10	326.121296924	0.048895
-mz_00001	175.01	HMDB40154	C12H22O10	326.121296924	0.048895
-mz_00001	175.01	HMDB00630	C4H5N3O	111.043261797	0.049027
-mz_00001	175.01	HMDB14021	C19H19FN2O	310.148141445	0.049288
-mz_00001	175.01	HMDB60576	C19H19FN2O	310.148141445	0.049288
-mz_00001	175.01	HMDB03826	C13H18N4O6	326.122634328	0.049564
-mz_00002	238.19	HMDB04043	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB36086	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB04472	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB05812	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB35861	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB38025	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB37049	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB31410	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB41034	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB35815	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB35819	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB36126	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB36112	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB37047	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB36196	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB35955	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB36068	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB34976	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB35818	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB36077	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB37019	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB34848	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB35820	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB35842	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB35954	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB37016	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB35783	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB35825	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB37048	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB36096	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB37133	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB36097	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB36993	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB36991	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB37007	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB35841	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB32118	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB36100	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB37006	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB35823	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB37161	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB37215	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB41014	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB35155	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB36996	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB30999	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB36101	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB36102	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB36107	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB36041	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB34972	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB40448	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB37214	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB34969	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB36078	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB38185	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB35838	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB35162	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB34932	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB35272	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB35833	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB32530	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB59881	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB59864	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB59869	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB61802	C10H18O	154.135765198	0.000875
-mz_00002	238.19	HMDB01422	C9H21N2O3	205.155217548	0.001293
-mz_00002	238.19	HMDB30326	C9H17NO	155.131014171	0.001384
-mz_00002	238.19	HMDB31179	C9H17NO	155.131014171	0.001384
-mz_00002	238.19	HMDB39833	C9H17NO	155.131014171	0.001384
-mz_00002	238.19	HMDB39834	C9H17NO	155.131014171	0.001384
-mz_00002	238.19	HMDB14888	C13H20N2O	220.157563272	0.001386
-mz_00002	238.19	HMDB14362	C10H15N3	177.126597495	0.001937
-mz_00002	238.19	HMDB30898	C28H40O	392.307915902	0.002219
-mz_00002	238.19	HMDB40385	C39H41NO9	667.278131915	0.002234
-mz_00002	238.19	HMDB39692	C30H50O4	474.370910088	0.002731
-mz_00002	238.19	HMDB34644	C30H50O4	474.370910088	0.002731
-mz_00002	238.19	HMDB34683	C30H50O4	474.370910088	0.002731
-mz_00002	238.19	HMDB34505	C30H50O4	474.370910088	0.002731
-mz_00002	238.19	HMDB35326	C30H50O4	474.370910088	0.002731
-mz_00002	238.19	HMDB34528	C30H50O4	474.370910088	0.002731
-mz_00002	238.19	HMDB15415	C12H21N5O3	283.164439563	0.00328
-mz_00002	238.19	HMDB28890	C12H21N5O3	283.164439563	0.00328
-mz_00002	238.19	HMDB28953	C12H21N5O3	283.164439563	0.00328
-mz_00002	238.19	HMDB41845	C12H21N5O3	283.164439563	0.00328
-mz_00002	238.19	HMDB12189	C8H21N3	159.173547687	0.004768
-mz_00002	238.19	HMDB31506	C8H21N3	159.173547687	0.004768
-mz_00002	238.19	HMDB34814	C30H54O	430.41746635	0.007951
-mz_00002	238.19	HMDB04437	C4H11NO2	105.078978601	0.008923
-mz_00002	238.19	HMDB34839	C31H48O2	452.36543078	0.009038
-mz_00002	238.19	HMDB60502	C31H48O2	452.36543078	0.009038
-mz_00002	238.19	HMDB35234	C29H56O2	436.428031036	0.009233
-mz_00002	238.19	HMDB37327	C29H56O2	436.428031036	0.009233
-mz_00002	238.19	HMDB35536	C29H56O2	436.428031036	0.009233
-mz_00002	238.19	HMDB35537	C29H56O2	436.428031036	0.009233
-mz_00002	238.19	HMDB37328	C29H56O2	436.428031036	0.009233
-mz_00002	238.19	HMDB14968	C11H15NO	177.115364107	0.009296
-mz_00002	238.19	HMDB40017	C11H15NO	177.115364107	0.009296
-mz_00002	238.19	HMDB39667	C11H15NO	177.115364107	0.009296
-mz_00002	238.19	HMDB33484	C11H15NO	177.115364107	0.009296
-mz_00002	238.19	HMDB39664	C11H15NO	177.115364107	0.009296
-mz_00002	238.19	HMDB40018	C11H15NO	177.115364107	0.009296
-mz_00002	238.19	HMDB40020	C11H15NO	177.115364107	0.009296
-mz_00002	238.19	HMDB40027	C11H15NO	177.115364107	0.009296
-mz_00002	238.19	HMDB40014	C11H15NO	177.115364107	0.009296
-mz_00002	238.19	HMDB40019	C11H15NO	177.115364107	0.009296
-mz_00002	238.19	HMDB41923	C11H15NO	177.115364107	0.009296
-mz_00002	238.19	HMDB30273	C28H46N2O4	474.34575797	0.009845
-mz_00002	238.19	HMDB00698	C26H43NO4	433.319208869	0.009846
-mz_00002	238.19	HMDB15072	C13H19NO	205.146664235	0.009847
-mz_00002	238.19	HMDB00946	C24H40O4	392.292659768	0.009847
-mz_00002	238.19	HMDB03315	C6H10O	98.073164942	0.009847
-mz_00002	238.19	HMDB00348	C24H40O4	392.292659768	0.009847
-mz_00002	238.19	HMDB00361	C24H40O4	392.292659768	0.009847
-mz_00002	238.19	HMDB00384	C24H40O4	392.292659768	0.009847
-mz_00002	238.19	HMDB00411	C24H40O4	392.292659768	0.009847
-mz_00002	238.19	HMDB00438	C24H40O4	392.292659768	0.009847
-mz_00002	238.19	HMDB00478	C24H40O4	392.292659768	0.009847
-mz_00002	238.19	HMDB00514	C24H40O4	392.292659768	0.009847
-mz_00002	238.19	HMDB00518	C24H40O4	392.292659768	0.009847
-mz_00002	238.19	HMDB00626	C24H40O4	392.292659768	0.009847
-mz_00002	238.19	HMDB00664	C24H40O4	392.292659768	0.009847
-mz_00002	238.19	HMDB00686	C24H40O4	392.292659768	0.009847
-mz_00002	238.19	HMDB00733	C24H40O4	392.292659768	0.009847
-mz_00002	238.19	HMDB00811	C24H40O4	392.292659768	0.009847
-mz_00002	238.19	HMDB02451	C24H40O4	392.292659768	0.009847
-mz_00002	238.19	HMDB02488	C24H40O4	392.292659768	0.009847
-mz_00002	238.19	HMDB02536	C24H40O4	392.292659768	0.009847
-mz_00002	238.19	HMDB02585	C24H40O4	392.292659768	0.009847
-mz_00002	238.19	HMDB32901	C12H20O2	196.146329884	0.009847
-mz_00002	238.19	HMDB31692	C12H20O2	196.146329884	0.009847
-mz_00002	238.19	HMDB31030	C12H20O2	196.146329884	0.009847
-mz_00002	238.19	HMDB36599	C12H20O2	196.146329884	0.009847
-mz_00002	238.19	HMDB34903	C12H20O2	196.146329884	0.009847
-mz_00002	238.19	HMDB39539	C14H20O2	220.146329884	0.009847
-mz_00002	238.19	HMDB38996	C14H20O2	220.146329884	0.009847
-mz_00002	238.19	HMDB37606	C14H20O2	220.146329884	0.009847
-mz_00002	238.19	HMDB31563	C6H10O	98.073164942	0.009847
-mz_00002	238.19	HMDB38280	C12H20O2	196.146329884	0.009847
-mz_00002	238.19	HMDB41469	C12H20O2	196.146329884	0.009847
-mz_00002	238.19	HMDB30332	C6H10O	98.073164942	0.009847
-mz_00002	238.19	HMDB32193	C12H20O2	196.146329884	0.009847
-mz_00002	238.19	HMDB40277	C7H10O	110.073164942	0.009847
-mz_00002	238.19	HMDB35157	C12H20O2	196.146329884	0.009847
-mz_00002	238.19	HMDB36389	C14H20O2	220.146329884	0.009847
-mz_00002	238.19	HMDB40206	C12H20O2	196.146329884	0.009847
-mz_00002	238.19	HMDB31564	C6H10O	98.073164942	0.009847
-mz_00002	238.19	HMDB29728	C7H10O	110.073164942	0.009847
-mz_00002	238.19	HMDB40217	C14H20O2	220.146329884	0.009847
-mz_00002	238.19	HMDB40226	C14H20O2	220.146329884	0.009847
-mz_00002	238.19	HMDB30867	C12H20O2	196.146329884	0.009847
-mz_00002	238.19	HMDB38270	C12H20O2	196.146329884	0.009847
-mz_00002	238.19	HMDB30945	C12H20O2	196.146329884	0.009847
-mz_00002	238.19	HMDB33714	C6H10O	98.073164942	0.009847
-mz_00002	238.19	HMDB33549	C6H10O	98.073164942	0.009847
-mz_00002	238.19	HMDB31498	C6H10O	98.073164942	0.009847
-mz_00002	238.19	HMDB31497	C6H10O	98.073164942	0.009847
-mz_00002	238.19	HMDB31196	C6H10O	98.073164942	0.009847
-mz_00002	238.19	HMDB39522	C12H20O2	196.146329884	0.009847
-mz_00002	238.19	HMDB40725	C12H20O2	196.146329884	0.009847
-mz_00002	238.19	HMDB13817	C14H20O2	220.146329884	0.009847
-mz_00002	238.19	HMDB29721	C7H10O	110.073164942	0.009847
-mz_00002	238.19	HMDB37718	C14H20O2	220.146329884	0.009847
-mz_00002	238.19	HMDB31496	C6H10O	98.073164942	0.009847
-mz_00002	238.19	HMDB31541	C7H10O	110.073164942	0.009847
-mz_00002	238.19	HMDB36048	C12H20O2	196.146329884	0.009847
-mz_00002	238.19	HMDB40397	C12H20O2	196.146329884	0.009847
-mz_00002	238.19	HMDB32051	C12H20O2	196.146329884	0.009847
-mz_00002	238.19	HMDB35239	C6H10O	98.073164942	0.009847
-mz_00002	238.19	HMDB41494	C12H20O2	196.146329884	0.009847
-mz_00002	238.19	HMDB40264	C6H10O	98.073164942	0.009847
-mz_00002	238.19	HMDB37714	C14H20O2	220.146329884	0.009847
-mz_00002	238.19	HMDB40278	C7H10O	110.073164942	0.009847
-mz_00002	238.19	HMDB40227	C12H20O2	196.146329884	0.009847
-mz_00002	238.19	HMDB37301	C12H20O2	196.146329884	0.009847
-mz_00002	238.19	HMDB61891	C7H10O	110.073164942	0.009847
-mz_00002	238.19	HMDB40271	C6H10O	98.073164942	0.009847
-mz_00002	238.19	HMDB32331	C12H20O2	196.146329884	0.009847
-mz_00002	238.19	HMDB62144	C12H20O2	196.146329884	0.009847
-mz_00002	238.19	HMDB60843	C13H19NO	205.146664235	0.009847
-mz_00002	238.19	HMDB61816	C12H20O2	196.146329884	0.009847
-mz_00002	238.19	HMDB62031	C6H10O	98.073164942	0.009847
-mz_00002	238.19	HMDB62127	C6H10O	98.073164942	0.009847
-mz_00002	238.19	HMDB07895	C38H76NO7P	689.535940303	0.010097
-mz_00002	238.19	HMDB08917	C38H76NO7P	689.535940303	0.010097
-mz_00002	238.19	HMDB11203	C38H76NO7P	689.535940303	0.010097
-mz_00002	238.19	HMDB11370	C38H76NO7P	689.535940303	0.010097
-mz_00002	238.19	HMDB13402	C38H76NO7P	689.535940303	0.010097
-mz_00002	238.19	HMDB13403	C38H76NO7P	689.535940303	0.010097
-mz_00002	238.19	HMDB01893	C29H50O2	430.381080844	0.010242
-mz_00002	238.19	HMDB12171	C29H50O2	430.381080844	0.010242
-mz_00002	238.19	HMDB30022	C29H50O2	430.381080844	0.010242
-mz_00002	238.19	HMDB59642	C29H50O2	430.381080844	0.010242
-mz_00002	238.19	HMDB37163	C11H24O4	220.167459256	0.011282
-mz_00002	238.19	HMDB30083	C10H22O2	174.161979948	0.012255
-mz_00002	238.19	HMDB37639	C10H22O2	174.161979948	0.012255
-mz_00002	238.19	HMDB40267	C10H22O2	174.161979948	0.012255
-mz_00002	238.19	HMDB61936	C10H22O2	174.161979948	0.012255
-mz_00002	238.19	HMDB37787	C5H10N2	98.08439833	0.01262
-mz_00002	238.19	HMDB01009	C11H17N2	177.139173554	0.014514
-mz_00002	238.19	HMDB35144	C29H46O5	474.334524582	0.015462
-mz_00002	238.19	HMDB35221	C29H46O5	474.334524582	0.015462
-mz_00002	238.19	HMDB00483	C27H48O5	452.350174646	0.016666
-mz_00002	238.19	HMDB00513	C27H48O5	452.350174646	0.016666
-mz_00002	238.19	HMDB00556	C27H48O5	452.350174646	0.016666
-mz_00002	238.19	HMDB00558	C27H48O5	452.350174646	0.016666
-mz_00002	238.19	HMDB02180	C27H48O5	452.350174646	0.016666
-mz_00002	238.19	HMDB02208	C27H48O5	452.350174646	0.016666
-mz_00002	238.19	HMDB60994	C15H25NO4	283.178358293	0.017198
-mz_00002	238.19	HMDB39019	C27H36O2	392.271530396	0.020412
-mz_00002	238.19	HMDB08838	C39H70NO8P	711.483904733	0.021422
-mz_00002	238.19	HMDB08839	C39H70NO8P	711.483904733	0.021422
-mz_00002	238.19	HMDB08870	C39H70NO8P	711.483904733	0.021422
-mz_00002	238.19	HMDB08869	C39H70NO8P	711.483904733	0.021422
-mz_00002	238.19	HMDB08931	C39H70NO8P	711.483904733	0.021422
-mz_00002	238.19	HMDB08963	C39H70NO8P	711.483904733	0.021422
-mz_00002	238.19	HMDB08962	C39H70NO8P	711.483904733	0.021422
-mz_00002	238.19	HMDB09122	C39H70NO8P	711.483904733	0.021422
-mz_00002	238.19	HMDB09155	C39H70NO8P	711.483904733	0.021422
-mz_00002	238.19	HMDB09187	C39H70NO8P	711.483904733	0.021422
-mz_00002	238.19	HMDB09317	C39H70NO8P	711.483904733	0.021422
-mz_00002	238.19	HMDB09350	C39H70NO8P	711.483904733	0.021422
-mz_00002	238.19	HMDB09382	C39H70NO8P	711.483904733	0.021422
-mz_00002	238.19	HMDB09415	C39H70NO8P	711.483904733	0.021422
-mz_00002	238.19	HMDB07901	C37H72NO8P	689.499554797	0.022225
-mz_00002	238.19	HMDB07933	C37H72NO8P	689.499554797	0.022225
-mz_00002	238.19	HMDB08827	C37H72NO8P	689.49955528	0.022225
-mz_00002	238.19	HMDB08828	C37H72NO8P	689.49955528	0.022225
-mz_00002	238.19	HMDB08859	C37H72NO8P	689.499554797	0.022225
-mz_00002	238.19	HMDB08924	C37H72NO8P	689.49955528	0.022225
-mz_00002	238.19	HMDB08956	C37H72NO8P	689.49955528	0.022225
-mz_00002	238.19	HMDB08987	C37H72NO8P	689.499554797	0.022225
-mz_00002	238.19	HMDB09019	C37H72NO8P	689.49955528	0.022225
-mz_00002	238.19	HMDB09052	C37H72NO8P	689.49955528	0.022225
-mz_00002	238.19	HMDB15050	C10H15N5	205.132745505	0.023765
-mz_00002	238.19	HMDB35360	C7H15NO4	177.100107973	0.024552
-mz_00002	238.19	HMDB29936	C9H20NO2	174.149403889	0.024831
-mz_00002	238.19	HMDB13223	C9H20NO2	174.149403889	0.024831
-mz_00002	238.19	HMDB04231	C9H19NO4	205.131408101	0.025103
-mz_00002	238.19	HMDB35645	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB37395	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB35720	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB39711	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB36118	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB35306	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB34940	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB30232	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB36793	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB35097	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB36789	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB35020	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB41490	C13H24O	196.18271539	0.026538
-mz_00002	238.19	HMDB40763	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB38209	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB33826	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB38123	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB38134	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB39532	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB35718	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB38193	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB36717	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB38208	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB36788	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB38160	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB35704	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB37069	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB35026	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB35793	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB38212	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB35739	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB38146	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB36420	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB36798	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB36402	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB36192	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB38119	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB37275	C13H24O	196.18271539	0.026538
-mz_00002	238.19	HMDB38982	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB37392	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB60356	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB34718	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB34661	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB38211	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB41404	C13H24O	196.18271539	0.026538
-mz_00002	238.19	HMDB36716	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB38512	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB35391	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB36172	C13H24O	196.18271539	0.026538
-mz_00002	238.19	HMDB38210	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB32220	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB32247	C13H24O	196.18271539	0.026538
-mz_00002	238.19	HMDB37811	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB13688	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB59836	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB60295	C15H24O	220.18271539	0.026538
-mz_00002	238.19	HMDB00520	C27H48O4	436.355260024	0.027153
-mz_00002	238.19	HMDB00524	C27H48O4	436.355260024	0.027153
-mz_00002	238.19	HMDB00655	C27H48O4	436.355260024	0.027153
-mz_00002	238.19	HMDB01231	C27H48O4	436.355260024	0.027153
-mz_00002	238.19	HMDB01968	C27H48O4	436.355260024	0.027153
-mz_00002	238.19	HMDB29851	C27H48O4	436.355260024	0.027153
-mz_00002	238.19	HMDB35888	C30H44O3	452.329045274	0.02723
-mz_00002	238.19	HMDB37065	C30H44O3	452.329045274	0.02723
-mz_00002	238.19	HMDB29993	C30H60O	436.464416542	0.027425
-mz_00002	238.19	HMDB30296	C30H60O	436.464416542	0.027425
-mz_00002	238.19	HMDB32868	C30H60O	436.464416542	0.027425
-mz_00002	238.19	HMDB60730	C23H36O5	392.256274262	0.02804
-mz_00002	238.19	HMDB12166	C28H46O3	430.344695338	0.028434
-mz_00002	238.19	HMDB37914	C28H46O3	430.344695338	0.028434
-mz_00002	238.19	HMDB38353	C28H46O3	430.344695338	0.028434
-mz_00002	238.19	HMDB35513	C28H46O3	430.344695338	0.028434
-mz_00002	238.19	HMDB10701	C36H72NO6P	645.509725553	0.030873
-mz_00002	238.19	HMDB38163	C15H16	196.125200512	0.030976
-mz_00002	238.19	HMDB32564	C15H16	196.125200512	0.030976
-mz_00002	238.19	HMDB38162	C15H16	196.125200512	0.030976
-mz_00002	238.19	HMDB14647	C19H25NO	283.193614427	0.032454
-mz_00002	238.19	HMDB13972	C19H25NO	283.193614427	0.032454
-mz_00002	238.19	HMDB28799	C11H17N5O4	283.128054057	0.033106
-mz_00002	238.19	HMDB29151	C11H17N5O4	283.128054057	0.033106
-mz_00002	238.19	HMDB28883	C11H17N5O4	283.128054057	0.033106
-mz_00002	238.19	HMDB28899	C11H17N5O4	283.128054057	0.033106
-mz_00002	238.19	HMDB15508	C15H21N	215.167399677	0.033382
-mz_00002	238.19	HMDB36683	C13H18	174.140850576	0.033384
-mz_00002	238.19	HMDB59826	C13H18	174.140850576	0.033384
-mz_00002	238.19	HMDB59696	C13H18	174.140850576	0.033384
-mz_00002	238.19	HMDB61824	C13H18	174.140850576	0.033384
-mz_00002	238.19	HMDB30085	C28H42O6	474.298139076	0.033654
-mz_00002	238.19	HMDB60061	C16H34NO5P	351.217459715	0.034173
-mz_00002	238.19	HMDB41940	C9H11N3O	177.090211989	0.034448
-mz_00002	238.19	HMDB29741	C10H16N2O2	196.121177766	0.034999
-mz_00002	238.19	HMDB40551	C10H16N2O2	196.121177766	0.034999
-mz_00002	238.19	HMDB30353	C8H13NO2	155.094628665	0.035001
-mz_00002	238.19	HMDB62098	C8H13NO2	155.094628663	0.035001
-mz_00002	238.19	HMDB31659	C5H13N	87.104799421	0.035364
-mz_00002	238.19	HMDB32392	C5H13N	87.104799421	0.035364
-mz_00002	238.19	HMDB31202	C12H29N3	215.236147943	0.035366
-mz_00002	238.19	HMDB35135	C9H14O2	154.099379692	0.03551
-mz_00002	238.19	HMDB38697	C9H14O2	154.099379692	0.03551
-mz_00002	238.19	HMDB38268	C9H14O2	154.099379692	0.03551
-mz_00002	238.19	HMDB31302	C9H14O2	154.099379692	0.03551
-mz_00002	238.19	HMDB37276	C9H14O2	154.099379692	0.03551
-mz_00002	238.19	HMDB36177	C9H14O2	154.099379692	0.03551
-mz_00002	238.19	HMDB36239	C9H14O2	154.099379692	0.03551
-mz_00002	238.19	HMDB40285	C9H14O2	154.099379692	0.03551
-mz_00002	238.19	HMDB32314	C9H14O2	154.099379692	0.03551
-mz_00002	238.19	HMDB32442	C9H14O2	154.099379692	0.03551
-mz_00002	238.19	HMDB60285	C9H14O2	154.099379692	0.03551
-mz_00002	238.19	HMDB29888	C24H46O6	430.329439204	0.036062
-mz_00002	238.19	HMDB29551	C11H22	154.172150704	0.037261
-mz_00002	238.19	HMDB31205	C11H22	154.172150704	0.037261
-mz_00002	238.19	HMDB61812	C11H22	154.172150704	0.037261
-mz_00002	238.19	HMDB62070	C11H22	154.172150708	0.037261
-mz_00002	238.19	HMDB60817	C10H21N3O2	215.163376931	0.037405
-mz_00002	238.19	HMDB33870	C4H9NO	87.068413915	0.037407
-mz_00002	238.19	HMDB01080	C4H9NO	87.068413915	0.037407
-mz_00002	238.19	HMDB60247	C4H9NO	87.068413915	0.037407
-mz_00002	238.19	HMDB31581	C4H9NO	87.068413915	0.037407
-mz_00002	238.19	HMDB31215	C4H9NO	87.068413915	0.037407
-mz_00002	238.19	HMDB13287	C8H18N2O2	174.13682783	0.037407
-mz_00002	238.19	HMDB04649	C30H44O2	436.334130652	0.037718
-mz_00002	238.19	HMDB35983	C30H44O2	436.334130652	0.037718
-mz_00002	238.19	HMDB30395	C30H44O2	436.334130652	0.037718
-mz_00002	238.19	HMDB15659	C10H21N	155.167399677	0.03777
-mz_00002	238.19	HMDB32350	C10H21N	155.167399677	0.03777
-mz_00002	238.19	HMDB29987	C30H60O2	452.459331164	0.037913
-mz_00002	238.19	HMDB30925	C30H60O2	452.459331164	0.037913
-mz_00002	238.19	HMDB31977	C26H32O3	392.23514489	0.038605
-mz_00002	238.19	HMDB35640	C31H42O	430.323565966	0.038999
-mz_00002	238.19	HMDB07003	C19H37O6P	392.232775428	0.039789
-mz_00002	238.19	HMDB02372	C17H17NO3	283.120843415	0.040317
-mz_00002	238.19	HMDB03563	C17H17NO3	283.120843415	0.040317
-mz_00002	238.19	HMDB30191	C17H17NO3	283.120843415	0.040317
-mz_00002	238.19	HMDB39521	C17H17NO3	283.120843415	0.040317
-mz_00002	238.19	HMDB34669	C17H17NO3	283.120843415	0.040317
-mz_00002	238.19	HMDB32845	C17H17NO3	283.120843415	0.040317
-mz_00002	238.19	HMDB14592	C19H29NO5	351.204573043	0.040616
-mz_00002	238.19	HMDB35472	C44H89NO5	711.674074963	0.041968
-mz_00002	238.19	HMDB14375	C8H17NO2	159.125928793	0.042851
-mz_00002	238.19	HMDB00991	C8H17NO2	159.125928793	0.042851
-mz_00002	238.19	HMDB59796	C29H57N5O12	667.400372313	0.042981
-mz_00002	238.19	HMDB08883	C35H68NO7P	645.473340047	0.043002
-mz_00002	238.19	HMDB11336	C35H68NO7P	645.473340047	0.043002
-mz_00002	238.19	HMDB12501	C23H39NO6S	457.249808675	0.044546
-mz_00002	238.19	HMDB29802	C27H52O	392.401816286	0.044731
-mz_00002	238.19	HMDB14354	C25H30NO3	392.222568831	0.044893
-mz_00002	238.19	HMDB02195	C26H44O5	436.318874518	0.045346
-mz_00002	238.19	HMDB30092	C31H64	436.500802048	0.045618
-mz_00002	238.19	HMDB01855	C10H11NO2	177.078978601	0.045681
-mz_00002	238.19	HMDB33482	C10H11NO2	177.078978601	0.045681
-mz_00002	238.19	HMDB37693	C10H11NO2	177.078978601	0.045681
-mz_00002	238.19	HMDB40045	C10H11NO2	177.078978601	0.045681
-mz_00002	238.19	HMDB12490	C10H11NO2	177.078978601	0.045681
-mz_00002	238.19	HMDB60063	C10H11NO2	177.078978601	0.045681
-mz_00002	238.19	HMDB40046	C12H15NO2	205.110278729	0.046232
-mz_00002	238.19	HMDB32589	C13H16O3	220.109944378	0.046233
-mz_00002	238.19	HMDB36226	C11H16O3	196.109944378	0.046233
-mz_00002	238.19	HMDB37734	C11H16O3	196.109944378	0.046233
-mz_00002	238.19	HMDB37492	C13H16O3	220.109944378	0.046233
-mz_00002	238.19	HMDB40424	C13H16O3	220.109944378	0.046233
-mz_00002	238.19	HMDB34662	C22H32O6	392.219888756	0.046233
-mz_00002	238.19	HMDB37725	C11H16O3	196.109944378	0.046233
-mz_00002	238.19	HMDB61823	C13H16O3	220.109944378	0.046233
-mz_00002	238.19	HMDB61942	C13H16O3	220.109944378	0.046233
-mz_00002	238.19	HMDB11560	C27H42O4	430.308309832	0.046627
-mz_00002	238.19	HMDB11590	C27H42O4	430.308309832	0.046627
-mz_00002	238.19	HMDB12458	C27H42O4	430.308309832	0.046627
-mz_00002	238.19	HMDB34403	C27H42O4	430.308309832	0.046627
-mz_00002	238.19	HMDB36249	C27H42O4	430.308309832	0.046627
-mz_00002	238.19	HMDB30066	C27H42O4	430.308309832	0.046627
-mz_00002	238.19	HMDB60127	C27H42O4	430.308309832	0.046627
-mz_00002	238.19	HMDB60128	C27H42O4	430.308309832	0.046627
-mz_00002	238.19	HMDB13279	C11H21NO3	215.152143543	0.048638
-mz_00002	238.19	HMDB34040	C9H18O3	174.125594442	0.048641
-mz_00002	238.19	HMDB31513	C9H18O3	174.125594442	0.048641
-mz_00002	238.19	HMDB41818	C16H14FN3O	283.11209029	0.04907
-mz_00002	238.19	HMDB12271	C5H11N3O4	177.074955855	0.049704
-mz_00003	420.16	HMDB60836	C17H17N3O4S	359.093976737	0.000683
-mz_00003	420.16	HMDB60838	C17H17N3O4S	359.093976737	0.000683
-mz_00003	420.16	HMDB33374	C16H19NO5S	337.098393413	0.001237
-mz_00003	420.16	HMDB00590	C7H11NO5	189.063722467	0.001268
-mz_00003	420.16	HMDB01138	C7H11NO5	189.063722467	0.001268
-mz_00003	420.16	HMDB14535	C15H23N3O4S	341.140926929	0.002147
-mz_00003	420.16	HMDB15135	C15H23N3O4S	341.140926929	0.002147
-mz_00003	420.16	HMDB30384	C19H18ClNO4	359.092435776	0.002224
-mz_00003	420.16	HMDB36989	C19H18ClNO4	359.092435776	0.002224
-mz_00003	420.16	HMDB30189	C19H18ClNO4	359.092435776	0.002224
-mz_00003	420.16	HMDB40341	C34H44O19	756.247679226	0.002337
-mz_00003	420.16	HMDB40372	C34H44O19	756.247679226	0.002337
-mz_00003	420.16	HMDB31695	C17H24O8	356.147117744	0.002883
-mz_00003	420.16	HMDB40558	C17H24O8	356.147117744	0.002883
-mz_00003	420.16	HMDB31574	C8H15NS2	189.064590865	0.003005
-mz_00003	420.16	HMDB32499	C8H15NS2	189.064590865	0.003005
-mz_00003	420.16	HMDB15253	C9H10N2O2	178.074227574	0.00422
-mz_00003	420.16	HMDB01267	C9H10N2O2	178.074227574	0.00422
-mz_00003	420.16	HMDB04145	C9H10N2O2	178.074227574	0.00422
-mz_00003	420.16	HMDB04146	C9H10N2O2	178.074227574	0.00422
-mz_00003	420.16	HMDB41452	C20H16O5	336.099773622	0.005116
-mz_00003	420.16	HMDB29533	C20H16O5	336.099773622	0.005116
-mz_00003	420.16	HMDB30141	C20H16O5	336.099773622	0.005116
-mz_00003	420.16	HMDB34027	C20H16O5	336.099773622	0.005116
-mz_00003	420.16	HMDB30450	C20H16O5	336.099773622	0.005116
-mz_00003	420.16	HMDB37922	C20H16O5	336.099773622	0.005116
-mz_00003	420.16	HMDB29791	C20H16O5	336.099773622	0.005116
-mz_00003	420.16	HMDB29787	C20H16O5	336.099773622	0.005116
-mz_00003	420.16	HMDB34050	C20H16O5	336.099773622	0.005116
-mz_00003	420.16	HMDB04662	C11H19N3O7S	337.094370667	0.005259
-mz_00003	420.16	HMDB39733	C11H19N3O7S	337.094370667	0.005259
-mz_00003	420.16	HMDB31401	C20H21NO7	387.131802031	0.005291
-mz_00003	420.16	HMDB35415	C21H22O8	402.13146768	0.005291
-mz_00003	420.16	HMDB39137	C19H22O8	378.13146768	0.005291
-mz_00003	420.16	HMDB35037	C19H22O8	378.13146768	0.005291
-mz_00003	420.16	HMDB29308	C21H22O8	402.13146768	0.005291
-mz_00003	420.16	HMDB37755	C21H22O8	402.13146768	0.005291
-mz_00003	420.16	HMDB39379	C21H22O8	402.13146768	0.005291
-mz_00003	420.16	HMDB29540	C21H22O8	402.13146768	0.005291
-mz_00003	420.16	HMDB29304	C19H22O8	378.13146768	0.005291
-mz_00003	420.16	HMDB33211	C18H17NO7	359.100501903	0.005842
-mz_00003	420.16	HMDB39157	C18H17NO7	359.100501903	0.005842
-mz_00003	420.16	HMDB29286	C18H17NO7	359.100501903	0.005842
-mz_00003	420.16	HMDB06591	C12H23NO10	341.132195961	0.006584
-mz_00003	420.16	HMDB11668	C12H23NO10	341.132195961	0.006584
-mz_00003	420.16	HMDB33395	C39H50O20	838.28954404	0.007952
-mz_00003	420.16	HMDB32864	C16H23NO7	341.147452095	0.008672
-mz_00003	420.16	HMDB30934	C14H17NO10	359.085245769	0.009414
-mz_00003	420.16	HMDB14502	C17H16F6N2O	378.116682374	0.009495
-mz_00003	420.16	HMDB37265	C16H21NO10	387.116545897	0.009965
-mz_00003	420.16	HMDB37262	C16H21NO10	387.116545897	0.009965
-mz_00003	420.16	HMDB59971	C17H22O11	402.116211546	0.009965
-mz_00003	420.16	HMDB59973	C17H22O11	402.116211546	0.009965
-mz_00003	420.16	HMDB28896	C17H19N5O3	341.148789499	0.010009
-mz_00003	420.16	HMDB29085	C17H19N5O3	341.148789499	0.010009
-mz_00003	420.16	HMDB00434	C10H12O4	196.073558872	0.010238
-mz_00003	420.16	HMDB40256	C10H12O4	196.073558872	0.010238
-mz_00003	420.16	HMDB35721	C10H12O4	196.073558872	0.010238
-mz_00003	420.16	HMDB30571	C10H12O4	196.073558872	0.010238
-mz_00003	420.16	HMDB29648	C10H12O4	196.073558872	0.010238
-mz_00003	420.16	HMDB37177	C10H12O4	196.073558872	0.010238
-mz_00003	420.16	HMDB29645	C10H12O4	196.073558872	0.010238
-mz_00003	420.16	HMDB39427	C10H12O4	196.073558872	0.010238
-mz_00003	420.16	HMDB40637	C10H12O4	196.073558872	0.010238
-mz_00003	420.16	HMDB32365	C10H12O4	196.073558872	0.010238
-mz_00003	420.16	HMDB62121	C10H12O4	196.073558872	0.010238
-mz_00003	420.16	HMDB60398	C10H12O4	196.073558872	0.010238
-mz_00003	420.16	HMDB60733	C10H12O4	196.073558872	0.010238
-mz_00003	420.16	HMDB60735	C10H12O4	196.073558872	0.010238
-mz_00003	420.16	HMDB11739	C12H26O13	378.137340918	0.011164
-mz_00003	420.16	HMDB33927	C12H20N2O9	336.116880248	0.01199
-mz_00003	420.16	HMDB33187	C14H10	178.07825032	0.012266
-mz_00003	420.16	HMDB33558	C13H24O11	356.13186161	0.012373
-mz_00003	420.16	HMDB35321	C13H24O11	356.13186161	0.012373
-mz_00003	420.16	HMDB41487	C13H24O11	356.13186161	0.012373
-mz_00003	420.16	HMDB39475	C13H24O11	356.13186161	0.012373
-mz_00003	420.16	HMDB29326	C19H19NO5	341.126322723	0.012457
-mz_00003	420.16	HMDB33366	C19H19NO5	341.126322723	0.012457
-mz_00003	420.16	HMDB14668	C20H29N3O2	343.225977187	0.014983
-mz_00003	420.16	HMDB41441	C22H18O6	378.110338308	0.015839
-mz_00003	420.16	HMDB31182	C16H19NO7	337.116151967	0.016522
-mz_00003	420.16	HMDB61008	C10H13ClN2	196.076726133	0.016572
-mz_00003	420.16	HMDB42015	C21H26N2O2S2	402.143569466	0.017392
-mz_00003	420.16	HMDB01857	C7H8N4O3	196.059640142	0.0176
-mz_00003	420.16	HMDB01982	C7H8N4O3	196.059640142	0.0176
-mz_00003	420.16	HMDB02026	C7H8N4O3	196.059640142	0.0176
-mz_00003	420.16	HMDB04308	C7H8N4O3	196.059640142	0.0176
-mz_00003	420.16	HMDB11103	C7H8N4O3	196.059640142	0.0176
-mz_00003	420.16	HMDB59704	C7H8N4O3	196.059640142	0.0176
-mz_00003	420.16	HMDB30328	C19H27NO7	381.178752223	0.01809
-mz_00003	420.16	HMDB41401	C21H24O5	356.162373878	0.018139
-mz_00003	420.16	HMDB30333	C21H24O5	356.162373878	0.018139
-mz_00003	420.16	HMDB33879	C21H24O5	356.162373878	0.018139
-mz_00003	420.16	HMDB33880	C21H24O5	356.162373878	0.018139
-mz_00003	420.16	HMDB30798	C21H24O5	356.162373878	0.018139
-mz_00003	420.16	HMDB35403	C21H24O5	356.162373878	0.018139
-mz_00003	420.16	HMDB30666	C21H24O5	356.162373878	0.018139
-mz_00003	420.16	HMDB35440	C21H24O5	356.162373878	0.018139
-mz_00003	420.16	HMDB30435	C22H23NO6	397.152537473	0.018245
-mz_00003	420.16	HMDB02040	C10H10O3	178.062994186	0.018247
-mz_00003	420.16	HMDB41290	C20H20O6	356.125988372	0.018247
-mz_00003	420.16	HMDB38774	C20H20O6	356.125988372	0.018247
-mz_00003	420.16	HMDB38965	C10H10O3	178.062994186	0.018247
-mz_00003	420.16	HMDB29459	C20H20O6	356.125988372	0.018247
-mz_00003	420.16	HMDB31055	C10H10O3	178.062994186	0.018247
-mz_00003	420.16	HMDB38712	C10H10O3	178.062994186	0.018247
-mz_00003	420.16	HMDB35525	C20H20O6	356.125988372	0.018247
-mz_00003	420.16	HMDB39471	C10H10O3	178.062994186	0.018247
-mz_00003	420.16	HMDB34213	C20H20O6	356.125988372	0.018247
-mz_00003	420.16	HMDB41123	C20H20O6	356.125988372	0.018247
-mz_00003	420.16	HMDB30682	C20H20O6	356.125988372	0.018247
-mz_00003	420.16	HMDB33027	C20H20O6	356.125988372	0.018247
-mz_00003	420.16	HMDB30903	C10H10O3	178.062994186	0.018247
-mz_00003	420.16	HMDB33248	C10H10O3	178.062994186	0.018247
-mz_00003	420.16	HMDB03409	C20H18NO4	336.123583069	0.018693
-mz_00003	420.16	HMDB61059	C19H22ClN5O2	387.14620268	0.019692
-mz_00003	420.16	HMDB61060	C19H22ClN5O2	387.14620268	0.019692
-mz_00003	420.16	HMDB11658	C15H15NO8	337.079766461	0.019864
-mz_00003	420.16	HMDB13189	C15H15NO8	337.079766461	0.019864
-mz_00003	420.16	HMDB00565	C6H12O7	196.058302738	0.020275
-mz_00003	420.16	HMDB00625	C6H12O7	196.058302738	0.020275
-mz_00003	420.16	HMDB03290	C6H12O7	196.058302738	0.020275
-mz_00003	420.16	HMDB29287	C16H16O8	336.084517488	0.020373
-mz_00003	420.16	HMDB29288	C16H16O8	336.084517488	0.020373
-mz_00003	420.16	HMDB33999	C16H16O8	336.084517488	0.020373
-mz_00003	420.16	HMDB30654	C16H16O8	336.084517488	0.020373
-mz_00003	420.16	HMDB33997	C16H16O8	336.084517488	0.020373
-mz_00003	420.16	HMDB33563	C16H16O8	336.084517488	0.020373
-mz_00003	420.16	HMDB34396	C33H40O20	756.21129372	0.02053
-mz_00003	420.16	HMDB40543	C33H40O20	756.21129372	0.02053
-mz_00003	420.16	HMDB39951	C33H40O20	756.21129372	0.02053
-mz_00003	420.16	HMDB41470	C33H40O20	756.21129372	0.02053
-mz_00003	420.16	HMDB38253	C33H40O20	756.21129372	0.02053
-mz_00003	420.16	HMDB38470	C33H40O20	756.21129372	0.02053
-mz_00003	420.16	HMDB37427	C33H40O20	756.21129372	0.02053
-mz_00003	420.16	HMDB35004	C33H40O20	756.21129372	0.02053
-mz_00003	420.16	HMDB37959	C33H40O20	756.21129372	0.02053
-mz_00003	420.16	HMDB38768	C33H40O20	756.21129372	0.02053
-mz_00003	420.16	HMDB37566	C33H40O20	756.21129372	0.02053
-mz_00003	420.16	HMDB40294	C33H40O20	756.21129372	0.02053
-mz_00003	420.16	HMDB37353	C33H40O20	756.21129372	0.02053
-mz_00003	420.16	HMDB37411	C33H40O20	756.21129372	0.02053
-mz_00003	420.16	HMDB40350	C23H22O5	378.146723814	0.020547
-mz_00003	420.16	HMDB30656	C23H22O5	378.146723814	0.020547
-mz_00003	420.16	HMDB61313	C21H20ClFNO	356.121745179	0.02249
-mz_00003	420.16	HMDB60562	C12H20N2O5S2	336.08136314	0.023527
-mz_00003	420.16	HMDB29419	C6H11N3O4	189.074955855	0.023735
-mz_00003	420.16	HMDB28731	C6H11N3O4	189.074955855	0.023735
-mz_00003	420.16	HMDB28836	C6H11N3O4	189.074955855	0.023735
-mz_00003	420.16	HMDB31791	C25H22ClNO3	419.128821282	0.023903
-mz_00003	420.16	HMDB14842	C20H23NO4	341.162708229	0.023928
-mz_00003	420.16	HMDB30184	C20H23NO4	341.162708229	0.023928
-mz_00003	420.16	HMDB31998	C20H23NO4	341.162708229	0.023928
-mz_00003	420.16	HMDB33789	C7H14O5	178.084123558	0.024012
-mz_00003	420.16	HMDB15264	C19H20N2O3S	356.119463206	0.024772
-mz_00003	420.16	HMDB14828	C21H23ClFN3O	387.151368285	0.024857
-mz_00003	420.16	HMDB29569	C8H18S2	178.084991956	0.025749
-mz_00003	420.16	HMDB40348	C8H18S2	178.084991956	0.025749
-mz_00003	420.16	HMDB15540	C21H27N3O7S	465.156970923	0.025811
-mz_00003	420.16	HMDB30340	C21H29NO3	343.214743799	0.026216
-mz_00003	420.16	HMDB33959	C21H29NO3	343.214743799	0.026216
-mz_00003	420.16	HMDB41190	C18H26O10	402.152597052	0.02642
-mz_00003	420.16	HMDB41514	C18H26O10	402.152597052	0.02642
-mz_00003	420.16	HMDB01260	C21H35N9O15P2	715.172784519	0.026511
-mz_00003	420.16	HMDB10336	C15H21NO9	359.121631275	0.026971
-mz_00003	420.16	HMDB29452	C15H21NO9	359.121631275	0.026971
-mz_00003	420.16	HMDB33107	C16H20N2O6	336.132136382	0.027246
-mz_00003	420.16	HMDB37997	C21H21O12	465.103301136	0.027859
-mz_00003	420.16	HMDB15576	C6H12N3PS	189.048954601	0.028268
-mz_00003	420.16	HMDB61129	C17H17ClO5	336.076451361	0.028439
-mz_00003	420.16	HMDB31826	C39H62NO16	800.406859941	0.028647
-mz_00003	420.16	HMDB15178	C19H22FN3O4	375.159434412	0.029406
-mz_00003	420.16	HMDB04645	C10H16N4O7S	336.073969576	0.03092
-mz_00003	420.16	HMDB41257	C20H18O9	402.095082174	0.031095
-mz_00003	420.16	HMDB39332	C36H36O18	756.190164348	0.031095
-mz_00003	420.16	HMDB37437	C36H36O18	756.190164348	0.031095
-mz_00003	420.16	HMDB32910	C36H36O18	756.190164348	0.031095
-mz_00003	420.16	HMDB39609	C21H20O4	336.136159128	0.031269
-mz_00003	420.16	HMDB35501	C21H20O4	336.136159128	0.031269
-mz_00003	420.16	HMDB02250	C19H37NO4	343.272258677	0.031299
-mz_00003	420.16	HMDB29332	C20H19NO4	337.131408101	0.031778
-mz_00003	420.16	HMDB33524	C20H19NO4	337.131408101	0.031778
-mz_00003	420.16	HMDB29827	C20H19NO4	337.131408101	0.031778
-mz_00003	420.16	HMDB14970	C11H11NO2	189.078978601	0.03178
-mz_00003	420.16	HMDB02302	C11H11NO2	189.078978601	0.03178
-mz_00003	420.16	HMDB29738	C11H11NO2	189.078978601	0.03178
-mz_00003	420.16	HMDB12201	C16H23N5O6	381.164833493	0.032009
-mz_00003	420.16	HMDB12202	C16H23N5O6	381.164833493	0.032009
-mz_00003	420.16	HMDB12203	C16H23N5O6	381.164833493	0.032009
-mz_00003	420.16	HMDB41369	C16H23N5O6	381.164833493	0.032009
-mz_00003	420.16	HMDB32000	C16H23N5O6	381.164833493	0.032009
-mz_00003	420.16	HMDB37688	C9H12N2O3	196.08479226	0.032705
-mz_00003	420.16	HMDB32852	C9H12N2O3	196.08479226	0.032705
-mz_00003	420.16	HMDB33965	C15H27NO10	381.163496089	0.033346
-mz_00003	420.16	HMDB40866	C16H20O9	356.110732238	0.033503
-mz_00003	420.16	HMDB36938	C16H20O9	356.110732238	0.033503
-mz_00003	420.16	HMDB40664	C16H20O9	356.110732238	0.033503
-mz_00003	420.16	HMDB31025	C41H62O15	794.408871314	0.033654
-mz_00003	420.16	HMDB01162	C49H58FeN4O5	838.375663119	0.035108
-mz_00003	420.16	HMDB32382	C19H23N3O3	341.173941617	0.035162
-mz_00003	420.16	HMDB05026	C18H21N3O3S	359.130362243	0.035702
-mz_00003	420.16	HMDB30394	C16H25NO9	375.152931403	0.035909
-mz_00003	420.16	HMDB15107	C22H24ClN3O	381.160790112	0.036052
-mz_00003	420.16	HMDB14717	C17H18N2O6S	378.088557008	0.03762
-mz_00003	420.16	HMDB38228	C13H23NO9	337.137281339	0.037651
-mz_00003	420.16	HMDB12286	C8H15NO2S	189.082349419	0.038522
-mz_00003	420.16	HMDB61100	C14H19N5O5	337.138618743	0.038989
-mz_00003	420.16	HMDB01117	C12H23N2O9PS	402.086187546	0.039989
-mz_00003	420.16	HMDB41986	C19H24N4O3	356.184840654	0.040606
-mz_00003	420.16	HMDB61220	C19H24N4O3	356.184840654	0.040606
-mz_00003	420.16	HMDB61221	C19H24N4O3	356.184840654	0.040606
-mz_00003	420.16	HMDB59631	C14H12O	196.088815006	0.04075
-mz_00003	420.16	HMDB00715	C10H7NO3	189.042593095	0.040991
-mz_00003	420.16	HMDB60331	C10H7NO3	189.042593095	0.040991
-mz_00003	420.16	HMDB60332	C10H7NO3	189.042593095	0.040991
-mz_00003	420.16	HMDB14411	C19H12O6	336.063388116	0.041502
-mz_00003	420.16	HMDB34129	C19H12O6	336.063388116	0.041502
-mz_00003	420.16	HMDB34039	C19H12O6	336.063388116	0.041502
-mz_00003	420.16	HMDB34049	C19H12O6	336.063388116	0.041502
-mz_00003	420.16	HMDB37373	C39H32O16	756.169034976	0.04166
-mz_00003	420.16	HMDB41231	C20H26O7	378.167853186	0.041676
-mz_00003	420.16	HMDB36900	C20H26O7	378.167853186	0.041676
-mz_00003	420.16	HMDB41349	C20H26O7	378.167853186	0.041676
-mz_00003	420.16	HMDB35053	C20H26O7	378.167853186	0.041676
-mz_00003	420.16	HMDB41002	C20H26O7	378.167853186	0.041676
-mz_00003	420.16	HMDB34474	C20H26O7	378.167853186	0.041676
-mz_00003	420.16	HMDB30657	C20H26O7	378.167853186	0.041676
-mz_00003	420.16	HMDB29542	C22H26O7	402.167853186	0.041676
-mz_00003	420.16	HMDB36694	C20H26O7	378.167853186	0.041676
-mz_00003	420.16	HMDB36945	C20H26O7	378.167853186	0.041676
-mz_00003	420.16	HMDB34016	C22H26O7	402.167853186	0.041676
-mz_00003	420.16	HMDB36897	C20H26O7	378.167853186	0.041676
-mz_00003	420.16	HMDB60871	C44H55NO14	821.362255473	0.041678
-mz_00003	420.16	HMDB60870	C44H55NO14	821.362255473	0.041678
-mz_00003	420.16	HMDB33356	C21H26NO4	356.186183325	0.041948
-mz_00003	420.16	HMDB41519	C20H20N2O3	336.147392516	0.042503
-mz_00003	420.16	HMDB01132	C11H16NO9P	337.056267627	0.043362
-mz_00003	420.16	HMDB14739	C16H20FN3O4	337.143784348	0.044154
-mz_00003	420.16	HMDB59612	C11H17N5O8P	378.081474057	0.044703
-mz_00003	420.16	HMDB31833	C17H14ClN3O2S	359.049525104	0.045135
-mz_00003	420.16	HMDB13929	C16H16ClNO3S	337.05394178	0.045688
-mz_00003	420.16	HMDB29684	C7H6N4O2	178.049075456	0.046084
-mz_00003	420.16	HMDB39318	C42H62O17	838.398700558	0.046626
-mz_00003	420.16	HMDB31714	C7H14OS2	178.04860645	0.047022
-mz_00003	420.16	HMDB60667	C24H25NO	343.193614427	0.047346
-mz_00003	420.16	HMDB61086	C24H25NO	343.193614427	0.047346
-mz_00003	420.16	HMDB40241	C11H16OS	196.092185824	0.047492
-mz_00003	420.16	HMDB41088	C26H27NO7	465.178752223	0.047592
-mz_00003	420.16	HMDB01956	C40H40N4O14	800.254102008	0.047732
-mz_00003	420.16	HMDB60775	C16H13ClFNO4	337.051713821	0.047916
-mz_00003	420.16	HMDB61718	C21H28N2OS	356.192234218	0.047999
-mz_00003	420.16	HMDB14645	C21H23ClFNO2	375.140134897	0.048705
-mz_00003	420.16	HMDB00150	C6H10O6	178.047738052	0.048759
-mz_00003	420.16	HMDB01353	C6H10O6	178.047738052	0.048759
-mz_00003	420.16	HMDB01385	C6H10O6	178.047738052	0.048759
-mz_00003	420.16	HMDB02541	C6H10O6	178.047738052	0.048759
-mz_00003	420.16	HMDB03466	C6H10O6	178.047738052	0.048759
-mz_00003	420.16	HMDB39724	C12H20O12	356.095476104	0.048759
-mz_00003	420.16	HMDB39726	C12H20O12	356.095476104	0.048759
-mz_00003	420.16	HMDB29938	C12H20O12	356.095476104	0.048759
-mz_00003	420.16	HMDB39722	C12H20O12	356.095476104	0.048759
-mz_00003	420.16	HMDB29932	C6H10O6	178.047738052	0.048759
-mz_00004	780.32	HMDB31947	C17H23NO8	369.142366717	0.001444
-mz_00004	780.32	HMDB35940	C44H44O9	716.298533006	0.005702
-mz_00004	780.32	HMDB33906	C20H24O7	376.152203122	0.007526
-mz_00004	780.32	HMDB39032	C20H24O7	376.152203122	0.007526
-mz_00004	780.32	HMDB32731	C20H24O7	376.152203122	0.007526
-mz_00004	780.32	HMDB39575	C20H24O7	376.152203122	0.007526
-mz_00004	780.32	HMDB32105	C20H24O7	376.152203122	0.007526
-mz_00004	780.32	HMDB35108	C20H24O7	376.152203122	0.007526
-mz_00004	780.32	HMDB30081	C20H24O7	376.152203122	0.007526
-mz_00004	780.32	HMDB36780	C20H24O7	376.152203122	0.007526
-mz_00004	780.32	HMDB15535	C16H26N2O5S	358.156242642	0.00825
-mz_00004	780.32	HMDB33715	C68H112O37	1520.688244598	0.009339
-mz_00004	780.32	HMDB14038	C21H20FNO4	369.137636338	0.010904
-mz_00004	780.32	HMDB38999	C17H26O6S	358.145009254	0.014216
-mz_00004	780.32	HMDB00244	C17H20N4O6	376.138284392	0.020311
-mz_00004	780.32	HMDB35698	C20H22O6	358.141638436	0.020958
-mz_00004	780.32	HMDB35467	C20H22O6	358.141638436	0.020958
-mz_00004	780.32	HMDB38113	C20H22O6	358.141638436	0.020958
-mz_00004	780.32	HMDB41276	C20H22O6	358.141638436	0.020958
-mz_00004	780.32	HMDB30573	C20H22O6	358.141638436	0.020958
-mz_00004	780.32	HMDB30709	C20H22O6	358.141638436	0.020958
-mz_00004	780.32	HMDB35789	C20H22O6	358.141638436	0.020958
-mz_00004	780.32	HMDB36837	C20H22O6	358.141638436	0.020958
-mz_00004	780.32	HMDB40600	C16H24O10	376.136946988	0.022986
-mz_00004	780.32	HMDB33300	C16H24O10	376.136946988	0.022986
-mz_00004	780.32	HMDB33301	C16H24O10	376.136946988	0.022986
-mz_00004	780.32	HMDB06676	C54H89N3O41	1435.497149365	0.024328
-mz_00004	780.32	HMDB01069	C16H18N6O4	358.138953094	0.026329
-mz_00004	780.32	HMDB33084	C21H23NO5	369.157622851	0.029069
-mz_00004	780.32	HMDB36765	C21H23NO5	369.157622851	0.029069
-mz_00004	780.32	HMDB61331	C21H23NO5	369.157622851	0.029069
-mz_00004	780.32	HMDB38971	C19H24N2O6	376.16343651	0.029993
-mz_00004	780.32	HMDB00768	C14H23NO11	381.127110583	0.031956
-mz_00004	780.32	HMDB33932	C23H20O5	376.13107375	0.034732
-mz_00004	780.32	HMDB38229	C37H40N4O11	716.269358142	0.034877
-mz_00004	780.32	HMDB15107	C22H24ClN3O	381.160790112	0.035403
-mz_00004	780.32	HMDB29788	C24H24O4	376.167459256	0.038039
-mz_00004	780.32	HMDB29299	C32H40O17	696.226549854	0.03834
-mz_00004	780.32	HMDB61254	C38H41N3O11S	747.246179859	0.040331
-mz_00004	780.32	HMDB61256	C38H41N3O11S	747.246179859	0.040331
-mz_00004	780.32	HMDB33965	C15H27NO10	381.163496089	0.040815
-mz_00004	780.32	HMDB12364	C36H66NO10P	703.442433849	0.041474
-mz_00004	780.32	HMDB12344	C36H66NO10P	703.442433849	0.041474
-mz_00004	780.32	HMDB06606	C29H49NO23	779.269536879	0.043187
-mz_00004	780.32	HMDB13001	C54H92O46	1476.485975556	0.043189
-mz_00004	780.32	HMDB12201	C16H23N5O6	381.164833493	0.04349
-mz_00004	780.32	HMDB41369	C16H23N5O6	381.164833493	0.04349
-mz_00004	780.32	HMDB12202	C16H23N5O6	381.164833493	0.04349
-mz_00004	780.32	HMDB12203	C16H23N5O6	381.164833493	0.04349
-mz_00004	780.32	HMDB32000	C16H23N5O6	381.164833493	0.04349
-mz_00004	780.32	HMDB29401	C20H19NO6	369.121237345	0.043702
-mz_00004	780.32	HMDB33522	C21H19NO6	381.121237345	0.043702
-mz_00004	780.32	HMDB29360	C20H19NO6	369.121237345	0.043702
-mz_00005	956.25	HMDB35451	C43H49O23	933.266462874	0.005681
-mz_00005	956.25	HMDB38095	C43H49O23	933.266462874	0.005681
-mz_00005	956.25	HMDB40803	C22H22O10	446.121296924	0.008359
-mz_00005	956.25	HMDB02219	C22H22O10	446.121296924	0.008359
-mz_00005	956.25	HMDB38821	C22H22O10	446.121296924	0.008359
-mz_00005	956.25	HMDB40511	C22H22O10	446.121296924	0.008359
-mz_00005	956.25	HMDB34149	C22H22O10	446.121296924	0.008359
-mz_00005	956.25	HMDB33990	C22H22O10	446.121296924	0.008359
-mz_00005	956.25	HMDB35931	C22H22O10	446.121296924	0.008359
-mz_00005	956.25	HMDB29617	C22H22O10	446.121296924	0.008359
-mz_00005	956.25	HMDB36630	C22H22O10	446.121296924	0.008359
-mz_00005	956.25	HMDB41455	C22H22O10	446.121296924	0.008359
-mz_00005	956.25	HMDB60157	C30H52N7O18P3S	923.230238121	0.013727
-mz_00005	956.25	HMDB33021	C43H49O22	917.271548252	0.015294
-mz_00005	956.25	HMDB41153	C40H41O22	873.208947996	0.019318
-mz_00005	956.25	HMDB60375	C35H54N7O19P3S	1001.240802807	0.019643
-mz_00005	956.25	HMDB35163	C40H42O26	938.196431516	0.019745
-mz_00005	956.25	HMDB29794	C40H42O26	938.196431516	0.019745
-mz_00005	956.25	HMDB04047	C27H44N7O19P3S	895.162552487	0.022108
-mz_00005	956.25	HMDB40378	C45H38O21	914.190558278	0.025619
-mz_00005	956.25	HMDB14756	C21H21ClN2O8	464.098643365	0.029593
-mz_00005	956.25	HMDB12207	C28H42N7O17P3S	873.157073179	0.032557
-mz_00005	956.25	HMDB35883	C21H20O12	464.095476104	0.035928
-mz_00005	956.25	HMDB37932	C21H20O12	464.095476104	0.035928
-mz_00005	956.25	HMDB34725	C21H20O12	464.095476104	0.035928
-mz_00005	956.25	HMDB33132	C21H20O12	464.095476104	0.035928
-mz_00005	956.25	HMDB40478	C21H20O12	464.095476104	0.035928
-mz_00005	956.25	HMDB34360	C21H20O12	464.095476104	0.035928
-mz_00005	956.25	HMDB37362	C21H20O12	464.095476104	0.035928
-mz_00005	956.25	HMDB30775	C21H20O12	464.095476104	0.035928
-mz_00005	956.25	HMDB30747	C22H24O11	464.13186161	0.036843
-mz_00005	956.25	HMDB37535	C22H24O11	464.13186161	0.036843
-mz_00005	956.25	HMDB14927	C28H54GdN5O20	938.260314726	0.044138
-mz_00006	1100.45	HMDB60499	C28H30N4O6	518.216534712	0.001166
-mz_00006	1100.45	HMDB32198	C30H34Cl2N4O	536.210967144	0.004946
-mz_00006	1100.45	HMDB06568	C20H35NO15	529.200669455	0.014838
-mz_00006	1100.45	HMDB02060	C20H35NO15	529.200669455	0.014838
-mz_00006	1100.45	HMDB06582	C20H35NO15	529.200669455	0.014838
-mz_00006	1100.45	HMDB10345	C27H36O11	536.225761994	0.024644
-mz_00006	1100.45	HMDB36888	C27H36O11	536.225761994	0.024644
-mz_00006	1100.45	HMDB39422	C48H64N11O18	1082.443079299	0.026902
-mz_00006	1100.45	HMDB35520	C24H38O12	518.23632668	0.038418
-mz_00006	1100.45	HMDB38923	C24H38O12	518.23632668	0.038418
-mz_00006	1100.45	HMDB29773	C24H38O12	518.23632668	0.038418
-mz_00006	1100.45	HMDB15455	C53H67N9O10S	1021.473160099	0.04438
-mz_00006	1100.45	HMDB40723	C30H30O8	518.194067936	0.046099
-mz_00006	1100.45	HMDB01980	C46H65N13O12S2	1055.431705989	0.047134
-mz_00006	1100.45	HMDB33282	C26H32O12	536.189376488	0.048127
-mz_00006	1100.45	HMDB33281	C26H32O12	536.189376488	0.048127
-mz_00006	1100.45	HMDB15595	C28H22F3N7O	529.183792976	0.048591
--- a/hmdb/wsdl_hmdb.pl	Thu Jan 28 10:52:26 2016 -0500
+++ /dev/null	Thu Jan 01 00:00:00 1970 +0000
@@ -1,265 +0,0 @@
-#!perl
-
-## script  : wsdl_hmdb.pl
-#=============================================================================
-#                              Included modules and versions
-#=============================================================================
-## Perl modules
-use strict ;
-use warnings ;
-use Carp qw (cluck croak carp) ;
-
-use Data::Dumper ;
-use Getopt::Long ;
-use Text::CSV ;
-use POSIX ;
-use FindBin ; ## Permet de localisez le repertoire du script perl d'origine
-
-## Specific Modules (Home made...)
-use lib $FindBin::Bin ;
-my $binPath = $FindBin::Bin ;
-use lib::hmdb qw( :ALL ) ;
-## PFEM Perl Modules
-use lib::conf  qw( :ALL ) ;
-use lib::csv  qw( :ALL ) ;
-
-## Initialized values
-my ( $help ) = undef ;
-my ( $mass ) = undef ;
-my ( $masses_file, $col_id, $col_mass, $header_choice, $nbline_header ) = ( undef, undef, undef, undef, undef ) ;
-my ( $delta, $molecular_species, $out_tab, $out_html, $out_xls ) = ( undef, undef, undef, undef, undef ) ;
-
-
-#=============================================================================
-#                                Manage EXCEPTIONS
-#=============================================================================
-
-&GetOptions ( 	"h"					=> \$help,				# HELP
-				"mass:s"			=> \$mass,				## option : one masse
-				"masses:s"			=> \$masses_file,		## option : path to the input
-				"header_choice:s"	=> \$header_choice,		## Presence or not of header in tabular file
-				"nblineheader:i"	=> \$nbline_header,		## numbre of header line present in file
-				"colfactor:i"		=> \$col_mass,			## Column id for retrieve formula list in tabular file
-				"delta:f"			=> \$delta,
-				"mode:s"			=> \$molecular_species,	## Molecular species (positive/negative/neutral)
-				"output|o:s"		=> \$out_tab,			## option : path to the ouput (tabular : input+results )
-				"view|v:s"			=> \$out_html,			## option : path to the results view (output2)
-				"outputxls:s"		=> \$out_xls,			## option : path to the xls-like format output
-            ) ;
-
-#=============================================================================
-#                                EXCEPTIONS
-#=============================================================================
-$help and &help ;
-
-#=============================================================================
-#                                MAIN SCRIPT
-#=============================================================================
-
-
-## -------------- Conf file ------------------------ :
-my ( $CONF ) = ( undef ) ;
-foreach my $conf ( <$binPath/*.cfg> ) {
-	my $oConf = lib::conf::new() ;
-	$CONF = $oConf->as_conf($conf) ;
-}
-
-## -------------- HTML template file ------------------------ :
-foreach my $html_template ( <$binPath/*.tmpl> ) { $CONF->{'HTML_TEMPLATE'} = $html_template ; }
-
-
-## --------------- Global parameters ---------------- :
-my ( $ids, $masses, $results ) = ( undef, undef, undef ) ;
-my ( $complete_rows, $nb_pages_for_html_out ) = ( undef, 1 ) ;
-my $search_condition = "Search params : Molecular specie = $molecular_species / delta (mass-to-charge ratio) = $delta" ;
-
-## --------------- retrieve input data -------------- :
-
-## manage only one mass
-if ( ( defined $mass ) and ( $mass ne '' ) ) {
-	my @masses = split(" ", $mass);
-	$masses = \@masses ;
-	for (my $i=1 ; $i<=$#masses+1 ; $i++){ push (@$ids,"mz_0".sprintf("%04s", $i ) ); }
-} ## END IF
-## manage csv file containing list of masses
-elsif ( ( defined $masses_file ) and ( $masses_file ne "" ) and ( -e $masses_file ) ) {
-	## parse all csv for later : output csv build
-	my $ocsv_input  = lib::csv->new() ;
-	my $complete_csv = $ocsv_input->get_csv_object( "\t" ) ;
-	$complete_rows = $ocsv_input->parse_csv_object($complete_csv, \$masses_file) ;
-
-	## parse masses and set ids
-	my $ocsv = lib::csv->new() ;
-	my $csv = $ocsv->get_csv_object( "\t" ) ;
-	if ( ( !defined $nbline_header ) or ( $nbline_header < 0 ) ) { $nbline_header = 0 ;	}
-	$masses = $ocsv->get_value_from_csv_multi_header( $csv, $masses_file, $col_mass, $header_choice, $nbline_header ) ; ## retrieve mz values on csv
-	my $nbmz = @$masses ;
-	for (my $i=1 ; $i<=$nbmz+1 ; $i++){ 	push (@$ids,"mz_0".sprintf("%04s", $i ) ); }
-}
-else {
-	warn "[warning] Input data are missing : none mass or file of masses\n" ;
-	&help ;
-}
-
-## ---------------- launch queries -------------------- :
-
-if ( ( defined $delta ) and ( $delta > 0 ) and ( defined $molecular_species ) and ( $molecular_species ne '' ) ) {
-	## prepare masses list and execute query
-	my $oHmdb = lib::hmdb::new() ;
-	my $hmdb_pages = undef ;
-
-	$results = [] ; # prepare arrays ref
-	my $submasses = $oHmdb->extract_sub_mz_lists($masses, $CONF->{HMDB_LIMITS} ) ;
-
-	## get the hmdb server status by a test query - continuous queries or kill script.
-	my $status = $oHmdb->test_matches_from_hmdb_ua() ;
-	$oHmdb->check_state_from_hmdb_ua($status) ; ## can kill the script execution
-
-	foreach my $mzs ( @{$submasses} ) {
-
-		my $result = undef ;
-		my ( $hmdb_masses, $nb_masses_to_submit ) = $oHmdb->prepare_multi_masses_query($mzs) ;
-		$hmdb_pages = $oHmdb->get_matches_from_hmdb_ua($hmdb_masses, $delta, $molecular_species) ;
-		$result = $oHmdb->parse_hmdb_csv_results($hmdb_pages, $mzs) ; ## hash format result
-
-		$results = [ @$results, @$result ] ;
-	}
-
-	## Uses N mz and theirs entries per page (see config file).
-	# how many pages you need with your input mz list?
-	$nb_pages_for_html_out = ceil( scalar(@{$masses} ) / $CONF->{HTML_ENTRIES_PER_PAGE} )  ;
-
-#	print Dumper $results ;
-}
-else {
-	croak "Can't work with HMDB : missing paramaters (list of masses, delta or molecular species)\n" ;
-} ## end ELSE
-
-## -------------- Produce HTML/CSV output ------------------ :
-
-if ( ( defined $out_html ) and ( defined $results ) ) {
-	my $oHtml = lib::hmdb::new() ;
-	my ($tbody_object) = $oHtml->set_html_tbody_object( $nb_pages_for_html_out, $CONF->{HTML_ENTRIES_PER_PAGE} ) ;
-	($tbody_object) = $oHtml->add_mz_to_tbody_object($tbody_object, $CONF->{HTML_ENTRIES_PER_PAGE}, $masses, $ids) ;
-	($tbody_object) = $oHtml->add_entries_to_tbody_object($tbody_object, $CONF->{HTML_ENTRIES_PER_PAGE}, $masses, $results) ;
-	my $output_html = $oHtml->write_html_skel(\$out_html, $tbody_object, $nb_pages_for_html_out, $search_condition, $CONF->{'HTML_TEMPLATE'}, $CONF->{'JS_GALAXY_PATH'}, $CONF->{'CSS_GALAXY_PATH'}) ;
-
-} ## END IF
-else {
-	warn "Can't create a HTML output for HMDB : no result found or your output file is not defined\n" ;
-}
-
-if ( ( defined $out_tab ) and ( defined $results ) ) {
-	# produce a csv based on METLIN format
-	my $ocsv = lib::hmdb::new() ;
-	if (defined $masses_file) {
-		my $lm_matrix = undef ;
-		if ( ( defined $nbline_header ) and ( $header_choice eq 'yes' ) ) {
-#			$lm_matrix = $ocsv->set_lm_matrix_object('hmdb', $masses, $results ) ;
-			$lm_matrix = $ocsv->set_hmdb_matrix_object_with_ids('hmdb', $masses, $results ) ;
-			$lm_matrix = $ocsv->add_lm_matrix_to_input_matrix($complete_rows, $lm_matrix, $nbline_header-1) ;
-		}
-		elsif ( ( $header_choice eq 'no' ) ) {
-#			$lm_matrix = $ocsv->set_lm_matrix_object(undef, $masses, $results ) ;
-			$lm_matrix = $ocsv->set_hmdb_matrix_object_with_ids(undef, $masses, $results ) ;
-			$lm_matrix = $ocsv->add_lm_matrix_to_input_matrix($complete_rows, $lm_matrix, 0) ;
-		}
-		$ocsv->write_csv_skel(\$out_tab, $lm_matrix) ;
-	}
-	elsif (defined $mass) {
-		$ocsv->write_csv_one_mass($masses, $ids, $results, $out_tab) ;
-	}
-} ## END IF
-else {
-	warn "Can't create a tabular output for HMDB : no result found or your output file is not defined\n" ;
-}
-
-## Write XLS like format
-if ( ( defined $out_xls ) and ( defined $results ) ) {
-	my $ocsv = lib::hmdb::new() ;
-	$ocsv->write_csv_one_mass($masses, $ids, $results, $out_xls) ;
-}
-
-
-#====================================================================================
-# Help subroutine called with -h option
-# number of arguments : 0
-# Argument(s)        :
-# Return           : 1
-#====================================================================================
-sub help {
-	print STDERR "
-help of wsdl_hmdb
-
-# wsdl_hmdb is a script to query HMDB website using mz and return a list of candidates sent by HMDB based on the ms search tool.
-# Input : formula or list of formula
-# Author : Franck Giacomoni and Marion Landi
-# Email : fgiacomoni\@clermont.inra.fr
-# Version : 1.4
-# Created : 08/07/2012
-# Updated : 21/01/2016
-USAGE :
-		wsdl_hmdb.pl 	-mass [one mass or a string list of exact masses] -delta [mz delta] -mode [molecular species: positive|negative|neutral] -output [output tabular file] -view [output html file]
-
-		or
-		wsdl_hmdb.pl 	-masses [an input file of mzs] -colfactor [col of mz] -header_choice [yes|no] -nblineheader [nb of lines containing file header : 0-n]
-						-delta [mz delta] -mode [molecular species: positive|negative|neutral] -output [output tabular file] -view [output html file]
-
-		or
-		wsdl_hmdb.pl 	-h for help
-
-		";
-	exit(1);
-}
-
-## END of script - F Giacomoni
-
-__END__
-
-=head1 NAME
-
- wsdl_hmdb.pl -- script to query HMDB website using mz and return a list of candidates sent by HMDB based on the ms search tool.
-
-=head1 USAGE
-
-	wsdl_hmdb.pl 	-mass [one mass or a string list of exact masses] -delta [mz delta] -mode [molecular species: positive|negative|neutral] -output [output tabular file] -view [output html file]
-
-	or
-	wsdl_hmdb.pl 	-masses [an input file of mzs] -colfactor [col of mz] -header_choice [yes|no] -nblineheader [nb of lines containing file header : 0-n]
-					-delta [mz delta] -mode [molecular species: positive|negative|neutral] -output [output tabular file] -view [output html file]
-
-=head1 SYNOPSIS
-
-This script manages batch queries on HMDB server.
-
-=head1 DESCRIPTION
-
-This main program is a script to query HMDB website using mz and return a list of candidates sent by HMDB based on the ms search tool.
-
-=over 4
-
-=item B<function01>
-
-=item B<function02>
-
-=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 1.0 : 06 / 06 / 2013
-
-version 1.2 : 27 / 01 / 2014
-
-version 1.3 : 19 / 11 / 2014
-
-version 1.4 : 21 / 01 / 2016 - a clean version for community
-
-=cut
\ No newline at end of file
--- a/hmdb/wsdl_hmdb.xml	Thu Jan 28 10:52:26 2016 -0500
+++ /dev/null	Thu Jan 01 00:00:00 1970 +0000
@@ -1,239 +0,0 @@
-<tool id="wsdl_hmdb" name="HMDB MS search" version="2016-01-28">
-  <description>
-        search by masses on HMDB online bank
-  </description>
-  <command interpreter="perl">
-        wsdl_hmdb.pl
-        #if str($input_type.choice) == "YES":
-            -masses "${input_type.masses}"
-            -header_choice "${input_type.header.header_choice}"
-            #if str($input_type.header.header_choice) == "yes":
-                -nblineheader "${$input_type.header.nbHeader}"
-            #end if
-            -colfactor "${input_type.colfactor}"
-        #else:
-            -mass "${input_type.mass}"
-        #end if
-        -delta "$delta" -mode "$mode"
-        -output "$variableMetadata" -view "$HmdbResView" -outputxls "$HmdbResXls"
-  </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 (Variable Metadata) " format="tabular" type="data" help="Generally variable metadata file. Please note : HMDB allows maximum 150 query masses per request" />
-        <conditional name="header">
-          <param name="header_choice" type="select" label="Do you have a header " help="if 'YES' is selected then enter your number of header lines">
-            <option value="no">NO</option>
-            <option value="yes" selected="true">YES</option>
-          </param>
-          <when value="yes">
-            <param name="nbHeader" label="Number of header lines " type="integer" value="1" min="1" size="10" help="number of lines not containing masses"/>
-          </when>
-        </conditional>
-	    <param name="colfactor" label="Column of masses " type="data_column" data_ref="masses" accept_default="true" />
-      </when>
-      <when value="NO">
-        <param name="mass" label="Mass to submit " type="text" size="20" help="For a masses list, writes : m1 m2 m3. Your values must be separated by spaces. You should use dot (.) like decimal separator" />
-      </when>
-    </conditional>
-
-    <param name="delta" label="Mass-to-charge ratio " type="float" value="0.05" min="0" max="10" size="10" help="Default value is 0.05 for HMDB (mass-to-charge ratio)"/>
-    <param name="mode" label="Molecular Species " type="select" display="radio" help="">
-      <option value="positive">Positif Mode</option>
-      <option value="negative">Negatif Mode</option>
-      <option value="neutral" selected="True">Neutral Mass</option>
-    </param>
-  </inputs>
-
-  <outputs>
-    <data name="variableMetadata" format="tabular" label="${tool.name}_TSV"/>
-    <data name="HmdbResView" format="html" label="${tool.name}_VIEW"/>
-    <data name="HmdbResXls" label="${tool.name}_XLS" format="tabular" />
-  </outputs>
-
-  <tests>
-  	<test>
-  		<!--test 01 no result - fake-mzrt-input-with-id -->
-  		<param name="choice" value="YES"/>
-  		<param name="masses" value="input_test01_fake-mzrt-input-with-id.tsv"/>
-  		<param name="header_choice" value="yes"/>
-  		<param name="nblineheader" value="1"/>
-  		<param name="colfactor" value="2"/>
-  		<param name="delta" value="0.001"/>
-  		<param name="mode" value="neutral"/>
-  		<output name="variableMetadata" file="out_test01.tsv"/>
-  		<output name="HmdbResView" file="out_test01.html"/>
-  		<output name="HmdbResXls" file="out_test01.csv"/>
-  	</test>
-  	<test>
-  		<!--test 02 : some results - with-mzrt-input-with-id file-->
-  		<param name="choice" value="YES"/>
-  		<param name="masses" value="input_test02_mzrt-input-with-id.tsv"/>
-  		<param name="header_choice" value="yes"/>
-  		<param name="nblineheader" value="1"/>
-  		<param name="colfactor" value="2"/>
-  		<param name="delta" value="0.001"/>
-  		<param name="mode" value="positive"/>
-  		<output name="variableMetadata" file="out_test02.tsv"/>
-  		<output name="HmdbResView" file="out_test02.html"/>
-  		<output name="HmdbResXls" file="out_test02.csv"/>
-  	</test>
-  	<test>
-  		<!--test 03 : some results - with-mz list in manual mass mode-->
-  		<param name="choice" value="NO"/>
-  		<param name="mass" value="175.01 238.19 420.16 780.32 956.25 1100.45"/>
-  		<param name="delta" value="0.05"/>
-  		<param name="mode" value="positive"/>
-  		<output name="variableMetadata" file="out_test03.tsv"/>
-  		<output name="HmdbResView" file="out_test03.html"/>
-  		<output name="HmdbResXls" file="out_test03.csv"/>
-  	</test>
-  </tests>
-
-  <help>
-
-.. class:: infomark
-
-**Authors** Marion Landi and Franck Giacomoni
-
----------------------------------------------------
-
-.. class:: infomark
-
-**Please cite** If you use this tool, please cite
-  | `Wishart DS, Jewison T, Guo AC, Wilson M, Knox C, et al., HMDB 3.0—The Human Metabolome Database in 2013. Nucleic Acids Res. 2013. &lt;http://www.ncbi.nlm.nih.gov/pubmed/23161693&gt;`_
-
-
----------------------------------------------------
-
-==============
-HMDB MS search
-==============
-
------------
-Description
------------
-
- | Search informations (like : HMDB id,  Name, Adduct, delta mass) on HMDB online bank
- | with one or more mass(es) in a file or entered manually
-
-
------------------
-Workflow position
------------------
-
-
-.. image:: ./static/images/metabolomics/hmdb.png
-        :width: 800
-
-
------------
-Input files
------------
-
-
-+-------------------------+-----------+
-| Parameter : num + label |  Format   |
-+=========================+===========+
-| 1 : File of masses      |  tabular  |
-+-------------------------+-----------+
-
-File of masses (Generally variable metadata file) must have at least the following column :
-	* Masses : column with all the masses in the tsv input file
-
-----------
-Parameters
-----------
-
-Would you use a file
-	| Choose whether the masses are in a file or entered manually
-	| YES (default) : parameters **File of masses ; Do you have a header ; Column of masses** are visible
-	| NO : parameter **Mass to submit** is visible
-	|
-
-
-If 'use file'='YES'
-
-File of masses
-	| see "Input files" section above
-	| Tabular file format, Generally variable metadata file
-	|
-
-Do you have a header
-	| YES (default) : parameter **Number of header lines** is visible
-	| NO : all lines are considered to contain masses
-	|
-
-If 'have a header'='YES'
-
-Number of header lines
-	| Number of lines not containing masses values, these lines will be ignored
-	|
-
-In all header cases :
-
-Column of masses
-	| Specify the column number for the mass in the tsv input file
-	|
-
-
-If 'use file'='NO'
-
-Mass to submit
-	| Specify a list of mass to request
-	| one or more mass(es) entered manually
-	| For a masses list, writes : m1 m2 m3
-	| You must separate yours values with space
-	| dot (.) is for float number
-	|
-
-In all cases :
-
-Mass-to-charge ratio
-	| Specify a delta (mass-to-charge ratio) to apply on mass - This value is a float, between 0.0000000000000001 and 10.
-	|
-
-Molecular Species
-	| Type of ionization of the molecule : *positif, negatif, neutral*
-	|
-
-
-------------
-Output files
-------------
-
-Two types of files
-	| wsdl_hmdb_VIEW.HTML : for viewing result via HTML.
-	|
-	| wsdl_hmdb_TSV.tabular : for linking with others modules.
-	|
-	| an excel-like output will be available.
-	|
-
----------------------------------------------------
-
-
----------------
-Working example
----------------
-
-
-.. class:: warningmark
-
-Refer to the corresponding `"W4M HowTo" &lt;http://workflow4metabolomics.org/howto&gt;`_ page:
- | Format Data For Postprocessing
- | Perform LCMS Annotations
-
-.. class:: warningmark
-
-And their "W4M courses 2015":
- | Using Galaxy4Metabolomics - W4M table format for Galaxy
- | Annotation Banks - Annotation
-
-
-	</help>
-</tool>
\ No newline at end of file
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/lib/conf.pm	Wed Nov 23 09:31:50 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/csv.pm	Wed Nov 23 09:31:50 2016 -0500
@@ -0,0 +1,240 @@
+package lib::csv ;
+
+use strict;
+use warnings ;
+use Exporter ;
+use Carp ;
+
+use Text::CSV ;
+
+use Data::Dumper ;
+
+use vars qw($VERSION @ISA @EXPORT %EXPORT_TAGS);
+
+our $VERSION = "1.0";
+our @ISA = qw(Exporter);
+our @EXPORT = qw( get_csv_object get_value_from_csv_multi_header );
+our %EXPORT_TAGS = ( ALL => [qw( get_csv_object get_value_from_csv_multi_header )] );
+
+=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_csv_object
+
+	## Description : builds a csv object and etablishes format
+	## Input : $separator
+	## Output : $csv
+	## Usage : my ( $csv ) = get_csv_object( $separator ) ;
+
+=cut
+## START of SUB
+sub get_csv_object {
+	## Retrieve Values
+    my $self = shift ;
+    my ( $separator ) = @_ ;
+
+#    my $csv = Text::CSV->new({'sep_char' => "$separator"});
+    my $csv = Text::CSV->new ( {'sep_char' => "$separator", binary => 1 } )  # should set binary attribute.
+    	or die "Cannot use CSV: ".Text::CSV->error_diag ();
+
+    return($csv) ;
+}
+## END of SUB
+
+=head2 METHOD get_value_from_csv_multi_header
+
+	## Description : extract a targeted column in a csv file
+	## Input : $csv, $file, $column, $is_header, $nb_header
+	## Output : $value
+	## Usage : my ( $value ) = get_value_from_csv_multi_header( $csv, $file, $column, $is_header, $nb_header ) ;
+
+=cut
+## START of SUB
+sub get_value_from_csv_multi_header {
+	## Retrieve Values
+    my $self = shift ;
+    my ( $csv, $file, $column, $is_header, $nb_header ) = @_ ;
+
+    my @value = () ;
+
+    ## Adapte the number of the colunm : (nb of column to position in array)
+	$column = $column - 1 ;
+
+    open (CSV, "<", $file) or die $! ;
+
+	my $line = 0 ;
+
+	while (<CSV>) {
+		$line++ ;
+	    chomp $_ ;
+		# file has a header
+		if ( defined $is_header and $is_header eq 'yes') { if ($line <= $nb_header) { next ; } }
+		# parsing the targeted column
+	    if ( $csv->parse($_) ) {
+	        my @columns = $csv->fields();
+	        push ( @value, $columns[$column] ) ;
+	    }
+	    else {
+	        my $err = $csv->error_input;
+	        die "Failed to parse line: $err";
+	    }
+	}
+	close CSV;
+    return(\@value) ;
+}
+## END of SUB
+
+=head2 METHOD parse_csv_object
+
+	## Description : parse_all csv object and return a array of rows
+	## Input : $csv, $file
+	## Output : $csv_matrix
+	## Usage : my ( $csv_matrix ) = parse_csv_object( $csv, $file ) ;
+
+=cut
+## START of SUB
+sub parse_csv_object {
+	## Retrieve Values
+    my $self = shift ;
+    my ( $csv, $file ) = @_ ;
+
+    my @csv_matrix = () ;
+
+	open my $fh, "<:encoding(utf8)", $$file or die "Can't open csv file $$file: $!";
+
+	while ( my $row = $csv->getline( $fh ) ) {
+	    push @csv_matrix, $row;
+	}
+	$csv->eof or $csv->error_diag();
+	close $fh;
+
+    return(\@csv_matrix) ;
+}
+## END of SUB
+
+=head2 METHOD parse_allcsv_object
+
+	## Description : parse_all csv object and return a array of rows with or without header
+	## Input : $csv, $file, $keep_header
+	## Output : $csv_matrix
+	## Usage : my ( $csv_matrix ) = parse_csv_object( $csv, $file, $keep_header ) ;
+
+=cut
+## START of SUB
+sub parse_allcsv_object {
+	## Retrieve Values
+    my $self = shift ;
+    my ( $csv, $file, $keep_header ) = @_ ;
+
+    my @csv_matrix = () ;
+    my $line = 1 ;
+
+	open my $fh, "<:encoding(utf8)", $$file or die "Can't open csv file $$file: $!";
+
+	while ( my $row = $csv->getline( $fh ) ) {
+		if ( ( $keep_header eq 'n' )  and ($line == 1) ) {  }
+		else { push @csv_matrix, $row; }
+	    $line ++ ;
+	}
+	my $status = $csv->eof or $csv->error_diag();
+	close $fh;
+
+    return(\@csv_matrix, $status) ;
+}
+## END of SUB
+
+
+=head2 METHOD write_csv_from_arrays
+
+	## Description : write a csv file from list of rows
+	## Input : $csv, $file_name, $rows
+	## Output : $csv_file
+	## Usage : my ( $csv_file ) = write_csv_from_arrays( $csv, $file_name, $rows ) ;
+
+=cut
+## START of SUB
+sub write_csv_from_arrays {
+	## Retrieve Values
+    my $self = shift ;
+    my ( $csv, $file_name, $rows ) = @_ ;
+
+    my $fh = undef ;
+    $csv->eol ("\n"); ##  end-of-line string to add to rows
+	$csv->quote_char(undef) ;
+    open $fh, ">:encoding(utf8)", "$file_name" or die "$file_name: $!";
+
+	my $status = $csv->print ($fh, $_) for @{$rows};
+	close $fh or die "$file_name: $!";
+
+    return(\$file_name) ;
+}
+## 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_csv_object, get_value_from_csv_multi_header
+
+=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 : 23 / 10 / 2013
+
+version 2 : ??
+
+=cut
\ No newline at end of file
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/lib/hmdb.pm	Wed Nov 23 09:31:50 2016 -0500
@@ -0,0 +1,1144 @@
+package lib::hmdb ;
+
+use strict;
+use warnings ;
+use Exporter ;
+use Carp ;
+
+use LWP::Simple;
+use LWP::UserAgent;
+use URI::URL;
+use SOAP::Lite;
+use Encode;
+use HTML::Template ;
+use XML::Twig ;
+use Text::CSV ;
+
+use Data::Dumper ;
+
+use vars qw($VERSION @ISA @EXPORT %EXPORT_TAGS);
+
+our $VERSION = "1.0";
+our @ISA = qw(Exporter);
+our @EXPORT = qw( map_suppl_data_on_hmdb_results get_unik_ids_from_results get_hmdb_metabocard_from_id extract_sub_mz_lists test_matches_from_hmdb_ua prepare_multi_masses_query get_matches_from_hmdb_ua parse_hmdb_csv_results set_html_tbody_object add_mz_to_tbody_object add_entries_to_tbody_object write_html_skel set_lm_matrix_object set_hmdb_matrix_object_with_ids add_lm_matrix_to_input_matrix write_csv_skel write_csv_one_mass );
+our %EXPORT_TAGS = ( ALL => [qw( map_suppl_data_on_hmdb_results get_unik_ids_from_results get_hmdb_metabocard_from_id extract_sub_mz_lists test_matches_from_hmdb_ua prepare_multi_masses_query get_matches_from_hmdb_ua parse_hmdb_csv_results set_html_tbody_object add_mz_to_tbody_object add_entries_to_tbody_object write_html_skel set_lm_matrix_object set_hmdb_matrix_object_with_ids add_lm_matrix_to_input_matrix write_csv_skel write_csv_one_mass )] );
+
+=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 extract_sub_mz_lists
+
+	## Description : extract a couples of sublist from a long mz list (more than $HMDB_LIMITS)
+	## Input : $HMDB_LIMITS, $masses
+	## Output : $sublists
+	## Usage : my ( $sublists ) = extract_sub_mz_lists( $HMDB_LIMITS, $masses ) ;
+
+=cut
+## START of SUB
+sub extract_sub_mz_lists {
+	## Retrieve Values
+    my $self = shift ;
+    my ( $masses, $HMDB_LIMITS ) = @_ ;
+
+    my ( @sublists, @sublist ) = ( (), () ) ;
+    my $nb_mz = 0 ;
+    my $nb_total_mzs = scalar(@{$masses}) ;
+
+    if ($nb_total_mzs == 0) {
+    	die "The provided mzs list is empty" ;
+    }
+
+    for ( my $current_pos = 0 ; $current_pos < $nb_total_mzs ; $current_pos++ ) {
+
+    	if ( $nb_mz < $HMDB_LIMITS ) {
+    		if ( $masses->[$current_pos] ) { 	push (@sublist, $masses->[$current_pos]) ; $nb_mz++ ;	} # build sub list
+    	}
+    	elsif ( $nb_mz == $HMDB_LIMITS ) {
+    		my @tmp = @sublist ; push (@sublists, \@tmp) ; @sublist = () ;	$nb_mz = 0 ;
+    		$current_pos-- ;
+    	}
+    	if ($current_pos == $nb_total_mzs-1) { 	my @tmp = @sublist ; push (@sublists, \@tmp) ; }
+	}
+    return(\@sublists) ;
+}
+## END of SUB
+
+=head2 METHOD prepare_multi_masses_query
+
+	## Description : Generate the adapted format of the mz list for HMDB
+	## Input : $masses
+	## Output : $hmdb_masses
+	## Usage : my ( $hmdb_masses ) = prepare_multi_masses_query( $masses ) ;
+
+=cut
+## START of SUB
+sub prepare_multi_masses_query {
+	## Retrieve Values
+    my $self = shift ;
+    my ( $masses ) = @_ ;
+
+    my $hmdb_masses = undef ;
+    my $sep = '%0D%0A' ; ## retour chariot encode
+    my ($nb_masses, $i) = (0, 0) ;
+
+    if ( defined $masses ) {
+    	my @masses = @{$masses} ;
+    	my $nb_masses = scalar ( @masses ) ;
+    	if ( $nb_masses == 0 ) { croak "The input method parameter mass list is empty" ; }
+    	elsif ( $nb_masses >= 150 ) { croak "Your mass list is too long : HMDB allows maximum 150 query masses per request \n" ; } ## Del it --- temporary patch
+
+	    foreach my $mass (@masses) {
+
+	    	if ($i < $nb_masses) {
+	    		$hmdb_masses .= $mass.$sep ;
+	    	}
+	    	elsif ( $i == $nb_masses ) {
+	    		$hmdb_masses .= $mass ;
+	    	}
+	    	else {
+	    		last ;
+	    	}
+	    	$i ++ ;
+	    }
+    }
+    else {
+    	croak "No mass list found \n" ;
+    }
+    return($hmdb_masses, $nb_masses) ;
+}
+## END of SUB
+
+=head2 METHOD test_matches_from_hmdb_ua
+
+	## Description : test a single query with tests parameters on hmdb - get the status of the complete server infra.
+	## Input : none
+	## Output : $status_line
+	## Usage : my ( $status_line ) = test_matches_from_hmdb_ua( ) ;
+
+=cut
+## START of SUB
+sub test_matches_from_hmdb_ua {
+	## Retrieve Values
+    my $self = shift ;
+
+    my @page = () ;
+
+	my $ua = new LWP::UserAgent;
+	$ua->agent("Mozilla/5.0 (Windows NT 6.1) AppleWebKit/537.36 (KHTML, like Gecko) Chrome/34.0.1847.131 Safari/537.36");
+
+	my $req = HTTP::Request->new(
+	    POST => 'http://specdb.wishartlab.com/ms/search.csv');
+
+	$req->content_type('application/x-www-form-urlencoded');
+	$req->content('utf8=TRUE&mode=positive&query_masses=420.159317&tolerance=0.000001&database=HMDB&commit=Download Results As CSV');
+
+	my $res = $ua->request($req);
+#	print $res->as_string;
+	my $status_line = $res->status_line ;
+	($status_line) = ($status_line =~ /(\d+)/);
+
+
+	return (\$status_line) ;
+}
+## END of SUB
+
+=head2 METHOD check_state_from_hmdb_ua
+
+	## Description : check the thhp status of hmdb and kill correctly the script if necessary.
+	## Input : $status
+	## Output : none
+	## Usage : check_state_from_hmdb_ua($status) ;
+
+=cut
+## START of SUB
+sub check_state_from_hmdb_ua {
+	## Retrieve Values
+    my $self = shift ;
+    my ($status) = @_ ;
+
+    if (!defined $$status) {
+    	croak "No http status is defined for the distant server" ;
+    }
+    else {
+    	unless ( $$status == 200 ) {
+    		if  ( $$status == 504 ) { croak "Gateway Timeout: The HMDB server was acting as a gateway or proxy and did not receive a timely response from the upstream server" ; }
+    		else {
+    			## None supported http code error ##
+    		}
+    	}
+    }
+
+    return (1) ;
+}
+## END of SUB
+
+=head2 METHOD get_matches_from_hmdb_ua
+
+	## Description : HMDB querying via an user agent with parameters : mz, delta and molecular species (neutral, pos, neg)
+	## Input : $mass, $delta, $mode
+	## Output : $results
+	## Usage : my ( $results ) = get_matches_from_hmdb( $mass, $delta, $mode ) ;
+
+=cut
+## START of SUB
+sub get_matches_from_hmdb_ua {
+	## Retrieve Values
+    my $self = shift ;
+    my ( $masses, $delta, $mode ) = @_ ;
+
+    my @page = () ;
+
+	my $ua = new LWP::UserAgent;
+	$ua->agent("Mozilla/5.0 (Windows NT 6.1) AppleWebKit/537.36 (KHTML, like Gecko) Chrome/34.0.1847.131 Safari/537.36");
+	$ua->timeout(500);
+
+	my $req = HTTP::Request->new(
+	    POST => 'http://specdb.wishartlab.com/ms/search.csv');
+
+	$req->content_type('application/x-www-form-urlencoded');
+	$req->content('utf8=TRUE&mode='.$mode.'&query_masses='.$masses.'&tolerance='.$delta.'&database=HMDB&commit=Download Results As CSV');
+
+	my $res = $ua->request($req);
+#	print $res->as_string;
+	if ($res->is_success) {
+	     @page = split ( /\n/, $res->decoded_content ) ;
+	 } else {
+	 	my $status_line = $res->status_line ;
+	 	($status_line) = ($status_line =~ /(\d+)/);
+	 	croak "HMDB service none available !! Status of the HMDB server is : $status_line\n" ;
+	 }
+
+
+	return (\@page) ;
+}
+## END of SUB
+
+=head2 METHOD parse_hmdb_csv_results
+
+	## Description : parse the csv results and get data
+	## Input : $csv
+	## Output : $results
+	## Usage : my ( $results ) = parse_hmdb_csv_results( $csv ) ;
+
+=cut
+## START of SUB
+sub parse_hmdb_csv_results {
+	## Retrieve Values
+    my $self = shift ;
+    my ( $csv, $masses, $max_query ) = @_ ;
+
+    my $test = 0 ;
+    my ($query_mass,$compound_id,$formula,$compound_mass,$adduct,$adduct_type,$adduct_mass,$delta) = (0, undef, undef, undef, undef, undef, undef, undef) ;
+
+    my %result_by_entry = () ;
+    my %features = () ;
+
+#    print Dumper $csv ;
+
+    foreach my $line (@{$csv}) {
+
+    	if ($line !~ /query_mass,compound_id,formula,compound_mass,adduct,adduct_type,adduct_mass,delta/) {
+    		my @entry = split(/,/, $line) ;
+
+    		if ( !exists $result_by_entry{$entry[0]} ) { $result_by_entry{$entry[0]} = [] ; }
+
+    		$features{ENTRY_ENTRY_ID} = $entry[1] ;
+    		$features{ENTRY_FORMULA} = $entry[2] ;
+    		$features{ENTRY_CPD_MZ} = $entry[3] ;
+    		$features{ENTRY_ADDUCT} = $entry[4] ;
+    		$features{ENTRY_ADDUCT_TYPE} = $entry[5] ;
+    		$features{ENTRY_ADDUCT_MZ} = $entry[6] ;
+    		$features{ENTRY_DELTA} = $entry[7] ;
+
+    		my %temp = %features ;
+
+    		push (@{$result_by_entry{$entry[0]} }, \%temp) ;
+    	}
+    	else {
+    		next ;
+    	}
+    } ## end foreach
+
+    ## manage per query_mzs (keep query masses order by array)
+    my @results = () ;
+    foreach (@{$masses}) {
+    	if ($result_by_entry{$_}) {
+
+    		## cut all entries > $max_query
+    		my @temp_entries = @{$result_by_entry{$_}} ;
+    		my @temp_cut = () ;
+    		my $current_query = 0 ;
+    		foreach (@temp_entries) {
+    			$current_query ++ ;
+    			if ($current_query > $max_query) {
+    				last ;
+    			}
+    			else {
+    				push (@temp_cut, $_) ;
+    			}
+    		}
+    		push (@results, \@temp_cut) ;
+#    		push (@results, $result_by_entry{$_}) ;
+    	}
+    	else {push (@results, [] ) ;} ;
+
+    }
+    return(\@results) ;
+}
+## END of SUB
+
+=head2 METHOD parse_hmdb_page_results
+
+	## Description : [DEPRECATED] old HMDB html page parser
+	## Input : $page
+	## Output : $results
+	## Usage : my ( $results ) = parse_hmdb_page_result( $pages ) ;
+
+=cut
+## START of SUB
+sub parse_hmdb_page_results {
+	## Retrieve Values
+    my $self = shift ;
+    my ( $page ) = @_ ;
+
+    my @results = () ;
+    my ($catch_table, $catch_name) = (0, 0) ;
+    my ($name, $adduct, $adduct_mw, $cpd_mw, $delta) = (undef, undef, undef, undef, undef) ;
+
+    if ( defined $page ) {
+
+    	my @page = @{$page} ;
+    	my $ID = undef ;
+    	my @result_by_mz = () ;
+    	my %result_by_entry = () ;
+
+		foreach my $line (@page)   {
+
+			#Section de la page contenant les resultat
+			if( $line =~/<table>/ ) { $catch_table = 1 ; }
+
+			## Si il existe un resultat :
+			if($catch_table == 1) {
+
+			    #Id de la molecule, et creation du lien
+			    if( $line =~ /<a href=\"\/metabolites\/(\w+)\" (.*)>/ )  {
+			    	$ID = $1 ;
+			    	$catch_name = 0 ;
+			    	next ;
+			    }
+			    #Nom de la molecule ONLY!!
+			    if ( $catch_name == 0 ) {
+
+			    	if( $line =~ /<td>(.+)<\/td>/ ) {
+
+			    		if ( !defined $name ) {
+			    			$name = $1 ;
+			    			$result_by_entry{'ENTRY_ENTRY_ID'} = $ID ;
+					    	$result_by_entry{'ENTRY_NAME'} = $name ;
+					    	next ;
+			    		}
+			    		if ( !defined $adduct ) { $adduct = $1 ;  $result_by_entry{'ENTRY_ADDUCT'} = $adduct ; next ; }
+			    		if ( !defined $adduct_mw ) {  $adduct_mw = $1 ; $result_by_entry{'ENTRY_ADDUCT_MZ'} = $adduct_mw ; next ; 	}
+			    		if ( !defined $cpd_mw ) { $cpd_mw = $1 ; $result_by_entry{'ENTRY_CPD_MZ'} = $cpd_mw ; next ; 	}
+			    		if ( !defined $delta ) {
+			    			$delta = $1 ;
+			    			$result_by_entry{'ENTRY_DELTA'} = $delta ;
+			    			$catch_name = 1 ;
+			    			my %tmp = %result_by_entry ;
+			    			push (@result_by_mz, \%tmp) ;
+			    			%result_by_entry = () ;
+			    			( $name, $cpd_mw, $delta, $adduct, $adduct_mw ) = ( undef, undef, undef, undef, undef ) ;
+			    			next ;
+			    		}
+				    }
+			    }
+			}
+			#Fin de la section contenant les resultats
+			if( $line =~ /<\/table>/ ) {
+				$catch_table = 0 ;
+				my @Tmp = @result_by_mz ;
+				push(@results, \@Tmp) ;
+				@result_by_mz = () ;
+			}
+	    }
+    }
+    return(\@results) ;
+}
+## END of SUB
+
+
+=head2 METHOD get_unik_ids_from_results
+
+	## Description : get all unik ids from the hmdb result object
+	## Input : $results
+	## Output : $ids
+	## Usage : my ( $ids ) = get_unik_ids_from_results ( $results ) ;
+
+=cut
+## START of SUB
+sub get_unik_ids_from_results {
+    ## Retrieve Values
+    my $self = shift ;
+    my ( $results ) = @_;
+    my ( %ids ) = ( () ) ;
+
+    foreach my $result (@{$results}) {
+
+    	foreach my $entries (@{$result}) {
+
+    		if ( ($entries->{'ENTRY_ENTRY_ID'}) and ($entries->{'ENTRY_ENTRY_ID'} ne '' ) ) {
+    			$ids{$entries->{'ENTRY_ENTRY_ID'}} = 1 ;
+    		}
+    	}
+    }
+
+    return (\%ids) ;
+}
+### END of SUB
+
+
+
+=head2 METHOD get_hmdb_metabocard_from_id
+
+	## Description : get a metabocard (xml format from an ID on HMDB)
+	## Input : $ids
+	## Output : $metabocard_features
+	## Usage : my ( $metabocard_features ) = get_hmdb_metabocard_from_id ( $ids ) ;
+
+=cut
+## START of SUB
+sub get_hmdb_metabocard_from_id {
+    ## Retrieve Values
+    my $self = shift ;
+    my ( $ids, $hmdb_url ) = @_;
+    my ( %metabocard_features ) = ( () ) ;
+    my $query = undef ;
+
+    ## structure %metabocard_features
+    # metabolite_id = (
+    #	'metabolite_name' => '__name__',
+    #	'metabolite_inchi' => '__inchi__',
+    #	'metabolite_logp' => '__logp-ALOGPS__',
+    #
+    # )
+
+
+    if( (defined $ids) and  ($ids > 0 ) ) {
+
+    	foreach my $id (keys %{$ids}) {
+
+#			print "\n============== > $id **********************\n " ;
+			my $twig = undef ;
+
+			if (defined $hmdb_url) {
+				$query = $hmdb_url.$id.'.xml' ;
+
+				## test the header if exists
+				my $response = head($query) ;
+
+				if (!defined $response) {
+					$metabocard_features{$id}{'metabolite_name'} = undef ;
+					$metabocard_features{$id}{'metabolite_inchi'} = undef ;
+					$metabocard_features{$id}{'metabolite_logp'} = undef ;
+					## Need to be improve to manage http 404 or other response diff than 200
+				}
+				elsif ($response->is_success) {
+
+					$twig = XML::Twig->nparse_ppe(
+
+						twig_handlers => {
+							# metabolite name
+							'metabolite/name' => sub { $metabocard_features{$id}{'metabolite_name'} = $_ -> text_only ; } ,
+							# metabolite inchi
+							'metabolite/inchi' => sub { $metabocard_features{$id}{'metabolite_inchi'} = $_ -> text_only ; } ,
+							## metabolite logP
+							'metabolite/predicted_properties/property' => sub {
+
+								my ($kind, $source, $value ) = ( undef, undef, undef ) ;
+
+								if (defined $_->children ) {
+    								foreach my $field ($_->children) {
+    									if ( $field->name eq 'kind') 		{ $kind = $field->text ; }
+    									elsif ( $field->name eq 'source') 	{ $source = $field->text ; }
+    									elsif ( $field->name eq 'value') 	{ $value = $field->text ; }
+
+    									if (defined $source ) {
+    										if ( ( $kind eq 'logp' ) and ( $source eq 'ALOGPS' ) ) {
+												$metabocard_features{$id}{'metabolite_logp'} = $value ;
+											}
+											($kind, $source, $value ) = ( undef, undef, undef ) ;
+    									}
+    								}
+								}
+							}
+						},
+						pretty_print => 'indented',
+						error_context => 1, $query
+					);
+
+#				    $twig->print;
+					$twig->purge ;
+
+				    if (!$@) {
+
+				    }
+				    else {
+				    	warn $@ ;
+				    }
+				}
+			}
+			else {
+				warn "The hmdb metabocard url is not defined\n" ;
+				last;
+			}
+    	}
+    }
+    else {
+    	warn "The HMDB ids list from HMDB is empty - No metabocard found\n" ;
+    }
+
+#    print Dumper %metabocard_features ;
+    return (\%metabocard_features) ;
+}
+### END of SUB
+
+
+=head2 METHOD map_suppl_data_on_hmdb_results
+
+	## Description : map supplementary data with already collected results with hmdb search
+	## Input : $results, $features
+	## Output : $results
+	## Usage : my ( $results ) = map_suppl_data_on_hmdb_results ( $results, $features ) ;
+
+=cut
+## START of SUB
+sub map_suppl_data_on_hmdb_results {
+    ## Retrieve Values
+    my $self = shift ;
+    my ( $results, $features ) = @_;
+    my ( @more_results ) = ( () ) ;
+
+    @more_results = @{$results} ; ## Dump array ref to map
+
+    foreach my $result (@more_results) {
+
+    	foreach my $entries (@{$result}) {
+
+    		if ( ($entries->{'ENTRY_ENTRY_ID'}) and ($entries->{'ENTRY_ENTRY_ID'} ne '' ) ) {
+    			## check that we have a ID for mapping
+    			my $current_id = $entries->{'ENTRY_ENTRY_ID'} ;
+    			if ($features->{"$current_id"}) {
+    				## Metabolite NAME
+    				if (defined $features->{"$current_id"}{'metabolite_name'} ) {
+    					$entries->{'ENTRY_ENTRY_NAME'} = $features->{"$current_id"}{'metabolite_name'}
+    				}
+    				else {
+    					$entries->{'ENTRY_ENTRY_NAME'} = 'UNKNOWN' ;
+    				}
+    				## Metabolite INCHI
+    				if (defined $features->{"$current_id"}{'metabolite_inchi'} ) {
+    					$entries->{'ENTRY_ENTRY_INCHI'} = $features->{"$current_id"}{'metabolite_inchi'}
+    				}
+    				else {
+    					$entries->{'ENTRY_ENTRY_INCHI'} = 'NA' ;
+    				}
+    				## Metabolite LOGP
+    				if (defined $features->{"$current_id"}{'metabolite_logp'} ) {
+    					$entries->{'ENTRY_ENTRY_LOGP'} = $features->{"$current_id"}{'metabolite_logp'}
+    				}
+    				else {
+    					$entries->{'ENTRY_ENTRY_LOGP'} = 'NA' ;
+    				}
+    			}
+    			else {
+    				warn "This HMDB id doesn't match any collected ids\n" ;
+    			}
+    		}
+    	}
+    }
+
+    return (\@more_results) ;
+}
+### END of SUB
+
+
+=head2 METHOD set_html_tbody_object
+
+	## Description : initializes and build the tbody object (perl array) needed to html template
+	## Input : $nb_pages, $nb_items_per_page
+	## Output : $tbody_object
+	## Usage : my ( $tbody_object ) = set_html_tbody_object($nb_pages, $nb_items_per_page) ;
+
+=cut
+## START of SUB
+sub set_html_tbody_object {
+	my $self = shift ;
+    my ( $nb_pages, $nb_items_per_page ) = @_ ;
+
+	my ( @tbody_object ) = ( ) ;
+
+	for ( my $i = 1 ; $i <= $nb_pages ; $i++ ) {
+
+	    my %pages = (
+	    	# tbody feature
+	    	PAGE_NB => $i,
+	    	MASSES => [], ## end MASSES
+	    ) ; ## end TBODY N
+	    push (@tbody_object, \%pages) ;
+	}
+    return(\@tbody_object) ;
+}
+## END of SUB
+
+=head2 METHOD add_mz_to_tbody_object
+
+	## Description : initializes and build the mz object (perl array) needed to html template
+	## Input : $tbody_object, $nb_items_per_page, $mz_list
+	## Output : $tbody_object
+	## Usage : my ( $tbody_object ) = add_mz_to_tbody_object( $tbody_object, $nb_items_per_page, $mz_list ) ;
+
+=cut
+## START of SUB
+sub add_mz_to_tbody_object {
+	my $self = shift ;
+    my ( $tbody_object, $nb_items_per_page, $mz_list, $ids_list ) = @_ ;
+
+	my ( $current_page, $mz_index ) = ( 0, 0 ) ;
+
+	foreach my $page ( @{$tbody_object} ) {
+
+		my @colors = ('white', 'green') ;
+		my ( $current_index, , $icolor ) = ( 0, 0 ) ;
+
+		for ( my $i = 1 ; $i <= $nb_items_per_page ; $i++ ) {
+			#
+			if ( $current_index > $nb_items_per_page ) { ## manage exact mz per html page
+				$current_index = 0 ;
+				last ; ##
+			}
+			else {
+				$current_index++ ;
+				if ( $icolor > 1 ) { $icolor = 0 ; }
+
+				if ( exists $mz_list->[$mz_index]  ) {
+
+					my %mz = (
+						# mass feature
+						MASSES_ID_QUERY => $ids_list->[$mz_index],
+						MASSES_MZ_QUERY => $mz_list->[$mz_index],
+						MZ_COLOR => $colors[$icolor],
+						MASSES_NB => $mz_index+1,
+						ENTRIES => [] ,
+					) ;
+					push ( @{ $tbody_object->[$current_page]{MASSES} }, \%mz ) ;
+					# Html attr for mass
+					$icolor++ ;
+				}
+			}
+			$mz_index++ ;
+		} ## foreach mz
+
+		$current_page++ ;
+	}
+    return($tbody_object) ;
+}
+## END of SUB
+
+=head2 METHOD add_entries_to_tbody_object
+
+	## Description : initializes and build the entries object (perl array) needed to html template
+	## Input : $tbody_object, $nb_items_per_page, $mz_list, $entries
+	## Output : $tbody_object
+	## Usage : my ( $tbody_object ) = add_entries_to_tbody_object( $tbody_object, $nb_items_per_page, $mz_list, $entries ) ;
+
+=cut
+## START of SUB
+sub add_entries_to_tbody_object {
+	## Retrieve Values
+    my $self = shift ;
+    my ( $tbody_object, $nb_items_per_page, $mz_list, $entries ) = @_ ;
+
+    my $index_page = 0 ;
+    my $index_mz_continous = 0 ;
+
+    foreach my $page (@{$tbody_object}) {
+
+    	my $index_mz = 0 ;
+
+    	foreach my $mz (@{ $tbody_object->[$index_page]{MASSES} }) {
+
+    		my $index_entry = 0 ;
+
+    		my @anti_redondant = ('N/A') ;
+    		my $check_rebond = 0 ;
+    		my $check_noentry = 0 ;
+
+    		foreach my $entry (@{ $entries->[$index_mz_continous] }) {
+    			$check_noentry ++ ;
+    			## dispo anti doublons des entries
+    			foreach my $rebond (@anti_redondant) {
+    				if ( $rebond eq $entries->[$index_mz_continous][$index_entry]{ENTRY_ENTRY_ID} ) {	$check_rebond = 1 ; last ; }
+    			}
+
+    			if ( $check_rebond == 0 ) {
+
+    				 push ( @anti_redondant, $entries->[$index_mz_continous][$index_entry]{ENTRY_ENTRY_ID} ) ;
+
+    				my %entry = (
+		    			ENTRY_COLOR => $tbody_object->[$index_page]{MASSES}[$index_mz]{MZ_COLOR},
+		    			ENTRY_ENTRY_NAME => $entries->[$index_mz_continous][$index_entry]{ENTRY_ENTRY_NAME},
+		   				ENTRY_ENTRY_ID => $entries->[$index_mz_continous][$index_entry]{ENTRY_ENTRY_ID},
+		   				ENTRY_ENTRY_ID2 => $entries->[$index_mz_continous][$index_entry]{ENTRY_ENTRY_ID},
+						ENTRY_FORMULA => $entries->[$index_mz_continous][$index_entry]{ENTRY_FORMULA},
+						ENTRY_CPD_MZ => $entries->[$index_mz_continous][$index_entry]{ENTRY_CPD_MZ},
+						ENTRY_ADDUCT => $entries->[$index_mz_continous][$index_entry]{ENTRY_ADDUCT},
+						ENTRY_ADDUCT_TYPE => $entries->[$index_mz_continous][$index_entry]{ENTRY_ADDUCT_TYPE},
+						ENTRY_ADDUCT_MZ => $entries->[$index_mz_continous][$index_entry]{ENTRY_ADDUCT_MZ},
+						ENTRY_DELTA => $entries->[$index_mz_continous][$index_entry]{ENTRY_DELTA},
+						ENTRY_ENTRY_INCHI => $entries->[$index_mz_continous][$index_entry]{ENTRY_ENTRY_INCHI},
+						ENTRY_ENTRY_LOGP => $entries->[$index_mz_continous][$index_entry]{ENTRY_ENTRY_LOGP},
+		    		) ;
+
+	    			push ( @{ $tbody_object->[$index_page]{MASSES}[$index_mz]{ENTRIES} }, \%entry) ;
+    			}
+    			$check_rebond = 0 ; ## reinit double control
+    			$index_entry++ ;
+    		} ## end foreach
+    		if ($check_noentry == 0 ) {
+    			my %entry = (
+		    			ENTRY_COLOR => $tbody_object->[$index_page]{MASSES}[$index_mz]{MZ_COLOR},
+		    			ENTRY_ENTRY_NAME  => 'UNKNOWN',
+		   				ENTRY_ENTRY_ID => 'NONE',
+		   				ENTRY_ENTRY_ID2 => '',
+						ENTRY_FORMULA => 'n/a',
+						ENTRY_CPD_MZ => 'n/a',
+						ENTRY_ADDUCT => 'n/a',
+						ENTRY_ADDUCT_TYPE => 'n/a',
+						ENTRY_ADDUCT_MZ => 'n/a',
+						ENTRY_DELTA => 0,
+						ENTRY_ENTRY_INCHI => 'n/a',
+						ENTRY_ENTRY_LOGP => 'n/a',
+		    		) ;
+		    		push ( @{ $tbody_object->[$index_page]{MASSES}[$index_mz]{ENTRIES} }, \%entry) ;
+    		}
+    		$index_mz ++ ;
+    		$index_mz_continous ++ ;
+    	}
+    	$index_page++ ;
+    }
+    return($tbody_object) ;
+}
+## END of SUB
+
+=head2 METHOD write_html_skel
+
+	## Description : prepare and write the html output file
+	## Input : $html_file_name, $html_object, $html_template
+	## Output : $html_file_name
+	## Usage : my ( $html_file_name ) = write_html_skel( $html_file_name, $html_object ) ;
+
+=cut
+## START of SUB
+sub write_html_skel {
+	## Retrieve Values
+    my $self = shift ;
+    my ( $html_file_name,  $html_object, $pages , $search_condition, $html_template, $js_path, $css_path ) = @_ ;
+
+    my $html_file = $$html_file_name ;
+
+    if ( defined $html_file ) {
+		open ( HTML, ">$html_file" ) or die "Can't create the output file $html_file " ;
+
+		if (-e $html_template) {
+			my $ohtml = HTML::Template->new(filename => $html_template);
+			$ohtml->param(  JS_GALAXY_PATH => $js_path, CSS_GALAXY_PATH => $css_path  ) ;
+			$ohtml->param(  CONDITIONS => $search_condition  ) ;
+			$ohtml->param(  PAGES_NB => $pages  ) ;
+			$ohtml->param(  PAGES => $html_object  ) ;
+			print HTML $ohtml->output ;
+		}
+		else {
+			croak "Can't fill any html output : No template available ($html_template)\n" ;
+		}
+
+		close (HTML) ;
+    }
+    else {
+    	croak "No output file name available to write HTML file\n" ;
+    }
+    return(\$html_file) ;
+}
+## END of SUB
+
+=head2 METHOD set_lm_matrix_object
+
+	## Description : build the hmdb_row under its ref form
+	## Input : $header, $init_mzs, $entries
+	## Output : $hmdb_matrix
+	## Usage : my ( $hmdb_matrix ) = set_lm_matrix_object( $header, $init_mzs, $entries ) ;
+
+=cut
+## START of SUB
+sub set_lm_matrix_object {
+	## Retrieve Values
+    my $self = shift ;
+    my ( $header, $init_mzs, $entries ) = @_ ;
+
+    my @hmdb_matrix = () ;
+
+    if ( defined $header ) {
+    	my @headers = () ;
+    	push @headers, $header ;
+    	push @hmdb_matrix, \@headers ;
+    }
+
+    my $index_mz = 0 ;
+
+    foreach my $mz ( @{$init_mzs} ) {
+
+    	my $index_entries = 0 ;
+    	my @clusters = () ;
+    	my $cluster_col = undef ;
+
+    	my @anti_redondant = ('N/A') ;
+    	my $check_rebond = 0 ;
+
+    	my $nb_entries = scalar (@{ $entries->[$index_mz] }) ;
+
+    	foreach my $entry (@{ $entries->[$index_mz] }) {
+
+    		## dispo anti doublons des entries
+    		foreach my $rebond (@anti_redondant) {
+    			if ( $rebond eq $entries->[$index_mz][$index_entries]{ENTRY_ENTRY_ID} ) {	$check_rebond = 1 ; last ; }
+    		}
+
+	    	if ( $check_rebond == 0 ) {
+
+	    		push ( @anti_redondant, $entries->[$index_mz][$index_entries]{ENTRY_ENTRY_ID} ) ;
+
+		    	my $delta = $entries->[$index_mz][$index_entries]{ENTRY_DELTA} ;
+	    		my $formula =  $entries->[$index_mz][$index_entries]{ENTRY_FORMULA} ;
+	    		my $hmdb_id = $entries->[$index_mz][$index_entries]{ENTRY_ENTRY_ID}  ;
+
+		    	## METLIN data display model
+		   		## entry1=VAR1::VAR2::VAR3::VAR4|entry2=VAR1::VAR2::VAR3::VAR4|...
+		   		# manage final pipe
+		   		if ($index_entries < $nb_entries-1 ) { 	$cluster_col .= $delta.'::('.$formula.')::'.$hmdb_id.'|' ; }
+		   		else { 						   			$cluster_col .= $delta.'::('.$formula.')::'.$hmdb_id ; 	}
+
+	    	}
+	    	$check_rebond = 0 ; ## reinit double control
+	    	$index_entries++ ;
+	    } ## end foreach
+	    if ( !defined $cluster_col ) { $cluster_col = 'NONE' ; }
+    	push (@clusters, $cluster_col) ;
+    	push (@hmdb_matrix, \@clusters) ;
+    	$index_mz++ ;
+    }
+    return(\@hmdb_matrix) ;
+}
+## END of SUB
+
+=head2 METHOD set_hmdb_matrix_object_with_ids
+
+	## Description : build the hmdb_row under its ref form (IDS only)
+	## Input : $header, $init_mzs, $entries
+	## Output : $hmdb_matrix
+	## Usage : my ( $hmdb_matrix ) = set_hmdb_matrix_object_with_ids( $header, $init_mzs, $entries ) ;
+
+=cut
+## START of SUB
+sub set_hmdb_matrix_object_with_ids {
+	## Retrieve Values
+    my $self = shift ;
+    my ( $header, $init_mzs, $entries ) = @_ ;
+
+    my @hmdb_matrix = () ;
+
+    if ( defined $header ) {
+    	my @headers = () ;
+
+    	## redefined the header hmdb(delta::name::mz::formula::adduct::id)
+    	$header = 'hmdb(delta::name::mz::formula::adduct::id)' ;
+    	push @headers, $header ;
+    	push @hmdb_matrix, \@headers ;
+    }
+
+    my $index_mz = 0 ;
+
+    foreach my $mz ( @{$init_mzs} ) {
+
+    	my $index_entries = 0 ;
+    	my @clusters = () ;
+    	my $cluster_col = undef ;
+
+    	my @anti_redondant = ('N/A') ;
+    	my $check_rebond = 0 ;
+
+    	my $nb_entries = scalar (@{ $entries->[$index_mz] }) ;
+
+    	foreach my $entry (@{ $entries->[$index_mz] }) {
+
+    		## dispo anti doublons des entries
+    		foreach my $rebond (@anti_redondant) {
+    			if ( $rebond eq $entries->[$index_mz][$index_entries]{ENTRY_ENTRY_ID} ) {	$check_rebond = 1 ; last ; }
+    		}
+
+	    	if ( $check_rebond == 0 ) {
+
+	    		push ( @anti_redondant, $entries->[$index_mz][$index_entries]{ENTRY_ENTRY_ID} ) ;
+	    		##
+	    		my $hmdb_name = $entries->[$index_mz][$index_entries]{ENTRY_ENTRY_NAME}  ;
+	    		my $hmdb_id = $entries->[$index_mz][$index_entries]{ENTRY_ENTRY_ID}  ;
+	    		my $hmdb_formula = $entries->[$index_mz][$index_entries]{ENTRY_FORMULA}  ;
+	    		my $hmdb_cpd_mz = $entries->[$index_mz][$index_entries]{ENTRY_CPD_MZ}  ;
+	    		my $hmdb_adduct = $entries->[$index_mz][$index_entries]{ENTRY_ADDUCT}  ;
+	    		my $hmdb_delta = $entries->[$index_mz][$index_entries]{ENTRY_DELTA}  ;
+
+		    	## METLIN data display model
+		   		## entry1= ENTRY_DELTA::ENTRY_ENTRY_NAME::ENTRY_CPD_MZ::ENTRY_FORMULA::ENTRY_ADDUCT::ENTRY_ENTRY_ID | entry2=VAR1::VAR2::VAR3::VAR4|...
+		   		my $entry = $hmdb_delta.'::['."$hmdb_name".']::'.$hmdb_cpd_mz.'::'.$hmdb_formula.'::['.$hmdb_adduct.']::'.$hmdb_id ;
+
+		   		# manage final pipe
+		   		if ($index_entries < $nb_entries-1 ) { 	$cluster_col .= $entry.' | ' ; }
+		   		else { 						   			$cluster_col .= $entry ; 	}
+
+	    	}
+	    	$check_rebond = 0 ; ## reinit double control
+	    	$index_entries++ ;
+	    } ## end foreach
+	    if ( !defined $cluster_col ) { $cluster_col = 'NONE' ; }
+    	push (@clusters, $cluster_col) ;
+    	push (@hmdb_matrix, \@clusters) ;
+    	$index_mz++ ;
+    }
+    return(\@hmdb_matrix) ;
+}
+## END of SUB
+
+=head2 METHOD add_lm_matrix_to_input_matrix
+
+	## Description : build a full matrix (input + lm column)
+	## Input : $input_matrix_object, $lm_matrix_object, $nb_header
+	## Output : $output_matrix_object
+	## Usage : my ( $output_matrix_object ) = add_lm_matrix_to_input_matrix( $input_matrix_object, $lm_matrix_object, $nb_header ) ;
+
+=cut
+## START of SUB
+sub add_lm_matrix_to_input_matrix {
+	## Retrieve Values
+    my $self = shift ;
+    my ( $input_matrix_object, $lm_matrix_object, $nb_header ) = @_ ;
+
+    my @output_matrix_object = () ;
+    my $index_row = 0 ;
+    my $line = 0 ;
+
+    foreach my $row ( @{$input_matrix_object} ) {
+    	my @init_row = @{$row} ;
+    	$line++;
+
+    	if ( ( defined $nb_header ) and ( $line <= $nb_header) ) {
+    		push (@output_matrix_object, \@init_row) ;
+    		next ;
+    	}
+
+    	if ( $lm_matrix_object->[$index_row] ) {
+    		my $dim = scalar(@{$lm_matrix_object->[$index_row]}) ;
+
+    		if ($dim > 1) { warn "the add method can't manage more than one column\n" ;}
+    		my $lm_col =  $lm_matrix_object->[$index_row][$dim-1] ;
+
+   		 	push (@init_row, $lm_col) ;
+	    	$index_row++ ;
+    	}
+    	push (@output_matrix_object, \@init_row) ;
+    }
+    return(\@output_matrix_object) ;
+}
+## END of SUB
+
+=head2 METHOD write_csv_skel
+
+	## Description : prepare and write csv output file
+	## Input : $csv_file, $rows
+	## Output : $csv_file
+	## Usage : my ( $csv_file ) = write_csv_skel( $csv_file, $rows ) ;
+
+=cut
+## START of SUB
+sub write_csv_skel {
+	## Retrieve Values
+    my $self = shift ;
+    my ( $csv_file, $rows ) = @_ ;
+
+    my $ocsv = lib::csv::new( {is_binary => 1 , quote_binary => 0, quote_char => undef }) ;
+	my $csv = $ocsv->get_csv_object("\t") ;
+	$ocsv->write_csv_from_arrays($csv, $$csv_file, $rows) ;
+
+    return($csv_file) ;
+}
+## END of SUB
+
+=head2 METHOD write_csv_one_mass
+
+	## Description : print a cvs file
+	## Input : $masses, $ids, $results, $file
+	## Output : N/A
+	## Usage : write_csv_one_mass( $ids, $results, $file ) ;
+
+=cut
+## START of SUB
+sub write_csv_one_mass {
+	## Retrieve Values
+    my $self = shift ;
+    my ( $masses, $ids, $results, $file,  ) = @_ ;
+
+    open(CSV, '>:utf8', "$file") or die "Cant' create the file $file\n" ;
+    print CSV "ID\tQuery(Da)\tDelta\tMetabolite_Name\tCpd_MW(Da)\tFormula\tAdduct\tAdduct_MW(Da)\tHMDB_ID\n" ;
+
+    my $i = 0 ;
+
+    foreach my $id (@{$ids}) {
+    	my $mass = undef ;
+    	if ( $masses->[$i] ) { 	$mass = $masses->[$i] ; 	}
+    	else {						last ; 					 	}
+
+    	if ( $results->[$i] ) { ## an requested id has a result in the list of hashes $results.
+
+    		my @anti_redondant = ('N/A') ;
+    		my $check_rebond = 0 ;
+    		my $check_noentry = 0 ;
+
+    		foreach my $entry (@{$results->[$i]}) {
+    			$check_noentry ++ ;
+    			## dispo anti doublons des entries
+	    		foreach my $rebond (@anti_redondant) {
+	    			if ( $rebond eq $entry->{ENTRY_ENTRY_ID} ) { $check_rebond = 1 ; last ; }
+	    		}
+#	    		print "\n-----------------------" ;
+#	    		print Dumper $entry->{ENTRY_ENTRY_ID} ;
+#	    		print "-------------------------$check_rebond\n" ;
+#		    	print Dumper @anti_redondant ;
+		    	if ( $check_rebond == 0 ) {
+
+		    		push ( @anti_redondant, $entry->{ENTRY_ENTRY_ID} ) ;
+
+	    			print CSV "$id\t$mass\t" ;
+
+	    			## print delta
+	    			if ( $entry->{ENTRY_DELTA} ) { print CSV "$entry->{ENTRY_DELTA}\t" ; }
+	    			else { 							 print CSV "0\t" ; }
+
+	    			## print cpd name
+	    			if ( $entry->{ENTRY_ENTRY_NAME} ) { print CSV "[$entry->{ENTRY_ENTRY_NAME}]\t" ; }
+	    			else { 							 print CSV "UNKNOWN\t" ; }
+
+	    			## print cpd mz
+	    			if ( $entry->{ENTRY_CPD_MZ} ) { print CSV "$entry->{ENTRY_CPD_MZ}\t" ; }
+	    			else { 							 print CSV "N/A\t" ; }
+
+	    			## print cpd formula
+	    			if ( $entry->{ENTRY_FORMULA} ) { print CSV "$entry->{ENTRY_FORMULA}\t" ; }
+	    			else { 							 print CSV "N/A\t" ; }
+
+	    			## print adduct
+	    			if ( $entry->{ENTRY_ADDUCT} ) { print CSV "[$entry->{ENTRY_ADDUCT}]\t" ; }
+	    			else { 							 print CSV "N/A\t" ; }
+
+	    			## print adduct mz
+	    			if ( $entry->{ENTRY_ADDUCT_MZ} ) { print CSV "$entry->{ENTRY_ADDUCT_MZ}\t" ; }
+	    			else { 							 print CSV "N/A\t" ; }
+
+	    			## print cpd id
+	    			if ( $entry->{ENTRY_ENTRY_ID} ) { print CSV "$entry->{ENTRY_ENTRY_ID}\n" ; }
+	    			else { 							print CSV "N/A\n" ; }
+		    	}
+		    	$check_rebond = 0 ; ## reinit double control
+    		} ## end foreach
+    		if ($check_noentry == 0 ) {
+    			print CSV "$id\t$mass\t0\tUNKNOWN\tN/A\tN/A\tN/A\tN/A\tN/A\n" ;
+    		}
+    	}
+    	$i++ ;
+    }
+   	close(CSV) ;
+    return() ;
+}
+## END of SUB
+
+1 ;
+
+
+__END__
+
+=head1 SUPPORT
+
+You can find documentation for this module with the perldoc command.
+
+ perldoc hmdb.pm
+
+=head1 Exports
+
+=over 4
+
+=item :ALL is ...
+
+=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 : 06 / 06 / 2013
+
+version 2 : 27 / 01 / 2014
+
+version 3 : 19 / 11 / 2014
+
+version 4 : 28 / 01 / 2016
+
+version 5 : 02 / 11 /2016
+
+=cut
Binary file static/images/hmdb.png has changed
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/t/hmdb_managerTest.pl	Wed Nov 23 09:31:50 2016 -0500
@@ -0,0 +1,134 @@
+#! perl
+use diagnostics;
+use warnings;
+no warnings qw/void/;
+use strict;
+no strict "refs" ;
+use Test::More qw( no_plan );
+use Test::Exception;
+use FindBin ;
+use Carp ;
+
+## Specific Modules
+use lib $FindBin::Bin ;
+my $binPath = $FindBin::Bin ;
+use lib::hmdbTest qw( :ALL ) ;
+
+
+## To launch the right sequence : API, MAPPER, THREADER, ...
+#my $sequence = 'MAPPER' ;
+my $sequence = 'MAIN' ;
+my $current_test = 1 ;
+
+if ($sequence eq "MAIN") {
+	print "\n\t\t\t\t  * * * * * * \n" ;
+	print "\t  * * * - - - Test HMDB Main script - - - * * * \n\n" ;
+
+
+	print "\n** Test $current_test extract_sub_mz_lists with an empty list of mzs **\n" ; $current_test++;
+
+	throws_ok{ extract_sub_mz_listsTest([], 3)} '/The provided mzs list is empty/', 'Method \'extract_sub_mz_lists\' detects empty argument and died correctly' ;
+
+	print "\n** Test $current_test extract_sub_mz_lists with a list of mzs and a limit of 3 **\n" ; $current_test++;
+	is_deeply( extract_sub_mz_listsTest(
+		['175.01', '238.19', '420.16', '780.32', '956.25', '1100.45' ], 3),
+		[ [ '175.01', '238.19', '420.16' ], [ '780.32', '956.25', '1100.45' ] ],
+		'Method \'extract_sub_mz_lists\' works with a list and return a well formated list of sublist of mzs');
+
+	print "\n** Test $current_test prepare_multi_masses_query with an empty list of mzs **\n" ; $current_test++;
+	throws_ok{ prepare_multi_masses_queryTest([])} '/The input method parameter mass list is empty/', 'Method \'prepare_multi_masses_query\' detects empty argument and died correctly' ;
+
+	print "\n** Test $current_test prepare_multi_masses_query with a list of mzs **\n" ; $current_test++;
+	is_deeply( prepare_multi_masses_queryTest(
+		['175.01', '238.19', '420.16', '780.32', '956.25', '1100.45' ] ),
+		'175.01%0D%0A238.19%0D%0A420.16%0D%0A780.32%0D%0A956.25%0D%0A1100.45%0D%0A',
+		'Method \'prepare_multi_masses_query\' works with a list of and return a well formated string for hmdb querying');
+
+	print "\n** Test $current_test get_matches_from_hmdb_ua with a well-formated string of mzs **\n" ; $current_test++;
+	is_deeply( get_matches_from_hmdb_uaTest(
+		'175.01%0D%0A420.16%0D%0A780.32%0D%0A956.25%0D%0A1100.45%0D%0A', 0.001, 'positive'),
+		[
+          'query_mass,compound_id,formula,compound_mass,adduct,adduct_type,adduct_mass,delta',
+          '175.01,HMDB60293,H2O3S2,113.94453531,M+IsoProp+H,+,175.009875,0.000125',
+          '175.01,HMDB03745,C2H6O3S2,141.975835438,M+CH3OH+H,+,175.009324,0.000676',
+          '175.01,HMDB31436,H4O4Si,95.987885149,M+DMSO+H,+,175.009105,0.000895',
+          '175.01,HMDB33657,C17H10O6,310.047738052,M+H+K,+,175.009086,0.000914',
+          '175.01,HMDB35230,C17H10O6,310.047738052,M+H+K,+,175.009086,0.000914',
+          '420.16,HMDB60838,C17H17N3O4S,359.093976737,M+IsoProp+H,+,420.159317,0.000683',
+          '420.16,HMDB60836,C17H17N3O4S,359.093976737,M+IsoProp+H,+,420.159317,0.000683'
+        ],
+		'Method \'get_matches_from_hmdb_ua\' works with a well-formated string of mzs and return a complete csv from hmdb');
+
+	print "\n** Test $current_test test_matches_from_hmdb_ua to get hmdb status **\n" ; $current_test++;
+	is_deeply (test_matches_from_hmdb_uaTest (),
+		\'200',
+		'The HMDB server is available: returns successful HTTP requests' ) ;
+
+	print "\n** Test $current_test check_state_from_hmdb_ua to manage script execution with the hmdb server status **\n" ; $current_test++;
+	is_deeply (check_state_from_hmdb_uaTest (\'200'),
+		1,
+		'The status 200 returns no error/warn' ) ;
+
+	print "\n** Test $current_test prepare_multi_masses_query with an empty list of mzs **\n" ; $current_test++;
+	throws_ok{ check_state_from_hmdb_uaTest(\'504')}
+		'/Gateway Timeout: The HMDB server was acting as a gateway or proxy and did not receive a timely response from the upstream server/',
+		'Method \'check_state_from_hmdb_ua\' detects HTTP error code returned by HMDB and died correctly' ;
+
+	print "\n** Test $current_test parse_hmdb_csv_results with the correct inputs for hmdb outputs parsing (csv format) **\n" ; $current_test++;
+	is_deeply ( parse_hmdb_csv_resultsTest (
+		[
+          'query_mass,compound_id,formula,compound_mass,adduct,adduct_type,adduct_mass,delta',
+          '175.01,HMDB60293,H2O3S2,113.94453531,M+IsoProp+H,+,175.009875,0.000125',
+          '175.01,HMDB03745,C2H6O3S2,141.975835438,M+CH3OH+H,+,175.009324,0.000676',
+          '175.01,HMDB31436,H4O4Si,95.987885149,M+DMSO+H,+,175.009105,0.000895',
+          '175.01,HMDB33657,C17H10O6,310.047738052,M+H+K,+,175.009086,0.000914',
+          '175.01,HMDB35230,C17H10O6,310.047738052,M+H+K,+,175.009086,0.000914',
+          '420.16,HMDB60838,C17H17N3O4S,359.093976737,M+IsoProp+H,+,420.159317,0.000683',
+          '420.16,HMDB60836,C17H17N3O4S,359.093976737,M+IsoProp+H,+,420.159317,0.000683'
+        ],
+        ['175.01', '238.19', '420.16']
+	),
+		[
+          [
+			{ 'ENTRY_ADDUCT' => 'M+IsoProp+H', 'ENTRY_DELTA' => '0.000125', 'ENTRY_ADDUCT_TYPE' => '+', 'ENTRY_FORMULA' => 'H2O3S2', 'ENTRY_ENTRY_ID' => 'HMDB60293', 'ENTRY_ADDUCT_MZ' => '175.009875', 'ENTRY_CPD_MZ' => '113.94453531' },
+			{ 'ENTRY_ADDUCT' => 'M+CH3OH+H', 'ENTRY_ADDUCT_TYPE' => '+', 'ENTRY_DELTA' => '0.000676', 'ENTRY_FORMULA' => 'C2H6O3S2', 'ENTRY_ENTRY_ID' => 'HMDB03745', 'ENTRY_ADDUCT_MZ' => '175.009324', 'ENTRY_CPD_MZ' => '141.975835438' },
+			{ 'ENTRY_CPD_MZ' => '95.987885149', 'ENTRY_FORMULA' => 'H4O4Si', 'ENTRY_ENTRY_ID' => 'HMDB31436', 'ENTRY_ADDUCT_MZ' => '175.009105', 'ENTRY_DELTA' => '0.000895', 'ENTRY_ADDUCT_TYPE' => '+', 'ENTRY_ADDUCT' => 'M+DMSO+H' },
+			{ 'ENTRY_ADDUCT_TYPE' => '+', 'ENTRY_DELTA' => '0.000914', 'ENTRY_ADDUCT' => 'M+H+K', 'ENTRY_CPD_MZ' => '310.047738052', 'ENTRY_ENTRY_ID' => 'HMDB33657', 'ENTRY_ADDUCT_MZ' => '175.009086', 'ENTRY_FORMULA' => 'C17H10O6' },
+			{ 'ENTRY_ADDUCT' => 'M+H+K', 'ENTRY_DELTA' => '0.000914', 'ENTRY_ADDUCT_TYPE' => '+', 'ENTRY_FORMULA' => 'C17H10O6', 'ENTRY_ADDUCT_MZ' => '175.009086', 'ENTRY_ENTRY_ID' => 'HMDB35230', 'ENTRY_CPD_MZ' => '310.047738052' }
+          ],
+          [],
+          [
+            { 'ENTRY_ADDUCT' => 'M+IsoProp+H', 'ENTRY_ADDUCT_TYPE' => '+', 'ENTRY_DELTA' => '0.000683', 'ENTRY_ENTRY_ID' => 'HMDB60838', 'ENTRY_ADDUCT_MZ' => '420.159317', 'ENTRY_FORMULA' => 'C17H17N3O4S', 'ENTRY_CPD_MZ' => '359.093976737' },
+            { 'ENTRY_CPD_MZ' => '359.093976737', 'ENTRY_FORMULA' => 'C17H17N3O4S', 'ENTRY_ENTRY_ID' => 'HMDB60836', 'ENTRY_ADDUCT_MZ' => '420.159317', 'ENTRY_ADDUCT_TYPE' => '+', 'ENTRY_DELTA' => '0.000683', 'ENTRY_ADDUCT' => 'M+IsoProp+H' }
+          ]
+        ],
+		'Method \'parse_hmdb_csv_results\' works with a well-formated csv output and returns a a well formated array' ) ;
+
+	print "\n** Test $current_test parse_hmdb_csv_results with a void hmdb output and a list of mzs **\n" ; $current_test++;
+	is_deeply ( parse_hmdb_csv_resultsTest ( [], ['175.01', '238.19', '420.16'] ),
+		[ [], [], [] ],
+		'Method \'parse_hmdb_csv_results\' works with a empty csv output and returns an empty but well formatted array' ) ;
+
+	print "\n** Test $current_test parse_hmdb_csv_results with a void hmdb output and a void mz list  **\n" ; $current_test++;
+	is_deeply ( parse_hmdb_csv_resultsTest ( [], [] ),
+		[],
+		'Method \'parse_hmdb_csv_results\' works with a empty csv output/mz list and returns an empty but well formatted array' ) ;
+}
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+
+## END of the script
\ No newline at end of file
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/t/lib/hmdbTest.pm	Wed Nov 23 09:31:50 2016 -0500
@@ -0,0 +1,83 @@
+package lib::hmdbTest ;
+
+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 ;
+
+our $VERSION = "1.0";
+our @ISA = qw(Exporter);
+our @EXPORT = qw( parse_hmdb_csv_resultsTest check_state_from_hmdb_uaTest test_matches_from_hmdb_uaTest extract_sub_mz_listsTest prepare_multi_masses_queryTest get_matches_from_hmdb_uaTest);
+our %EXPORT_TAGS = ( ALL => [qw( parse_hmdb_csv_resultsTest check_state_from_hmdb_uaTest test_matches_from_hmdb_uaTest extract_sub_mz_listsTest prepare_multi_masses_queryTest get_matches_from_hmdb_uaTest)] );
+
+use lib '/Users/fgiacomoni/Inra/labs/perl/galaxy_tools/hmdb' ;
+use lib::hmdb qw( :ALL ) ;
+
+use Data::Dumper ;
+
+## sub
+sub extract_sub_mz_listsTest {
+
+	my ($masses, $hmdb_limits, ) = @_ ;
+
+	my $oHmdb = lib::hmdb->new() ;
+	my $submasses = $oHmdb->extract_sub_mz_lists($masses, $hmdb_limits ) ;
+
+	return ($submasses) ;
+}
+
+## sub
+sub prepare_multi_masses_queryTest {
+
+	my ($mzs ) = @_ ;
+
+	my $oHmdb = lib::hmdb->new() ;
+	my ( $hmdb_masses, $nb_masses_to_submit ) = $oHmdb->prepare_multi_masses_query($mzs) ;
+
+	return ($hmdb_masses) ;
+}
+
+## sub
+sub get_matches_from_hmdb_uaTest {
+
+	my ( $hmdb_masses, $delta, $molecular_species ) = @_ ;
+
+	my $oHmdb = lib::hmdb->new() ;
+	my $hmdb_pages = $oHmdb->get_matches_from_hmdb_ua($hmdb_masses, $delta, $molecular_species) ;
+	return ($hmdb_pages) ;
+}
+
+
+## sub
+sub test_matches_from_hmdb_uaTest {
+
+	my $oHmdb = lib::hmdb->new() ;
+	my $status = $oHmdb->test_matches_from_hmdb_ua() ;
+	return ($status) ;
+}
+
+
+## sub
+sub check_state_from_hmdb_uaTest {
+	my ($status ) = @_ ;
+
+	my $oHmdb = lib::hmdb->new() ;
+	my $res = $oHmdb->check_state_from_hmdb_ua($status) ;
+	return($res) ;
+}
+
+
+
+## sub
+sub parse_hmdb_csv_resultsTest {
+	my ($hmdb_pages, $mzs ) = @_ ;
+
+	my $oHmdb = lib::hmdb->new() ;
+	my $result = $oHmdb->parse_hmdb_csv_results($hmdb_pages, $mzs) ; ## hash format result
+
+	return($result) ;
+}
+
+
+1 ;
\ No newline at end of file
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/input_test01_fake-mzrt-input-with-id.tabular	Wed Nov 23 09:31:50 2016 -0500
@@ -0,0 +1,7 @@
+id	mz	rt
+1	7.02080998	49.38210915
+2	75.05547146	0.658528069
+3	75.08059797	1743.94267
+4	76.03942694	51.23158899
+5	76.07584477	50.51249853
+6	76.07593168	0.149308136
\ No newline at end of file
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/input_test02_mzrt-input-with-id.tabular	Wed Nov 23 09:31:50 2016 -0500
@@ -0,0 +1,7 @@
+id	mz	rt
+1	7.02080998	49.38210915
+2	75.05547146	0.658528069
+3	75.08059797	1743.94267
+4	76.03942694	51.23158899
+5	76.07584477	50.51249853
+6	76.07593168	0.149308136
\ No newline at end of file
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/out_test01.html	Wed Nov 23 09:31:50 2016 -0500
@@ -0,0 +1,1 @@
+<?xml version="1.0" encoding="UTF-8" ?><!DOCTYPE html><html lang="en"><head><meta charset="utf-8"><meta name="viewport" content="width=device-width, initial-scale=1.0"><meta name="description" content=""><meta name="author" content="INRA de Clermont-Ferrand"><title>Galaxy HMDB queries - All results</title><link rel="stylesheet" type="text/css" href="css.php" media="all"><link rel="stylesheet" type="text/css" href="https://cdn.rawgit.com/fgiacomoni/galaxy_utils/master/style/simplePagination.css"/><!-- JavaScript --><script src="https://ajax.googleapis.com/ajax/libs/jquery/1.7.2/jquery.min.js"></script><script src="https://cdn.rawgit.com/fgiacomoni/galaxy_utils/master/scripts/jquery.simplePagination.js"></script><style type="text/css">body {padding-top: 70px}div.lm-table-warning {  font-size: 1.4em;  font-weight: bold;  padding-right: 25px;  color: #21536a;  margin-left: 3px;}tr.green td  {background-color: #eaf2d3; color: black;}tr.blank td {background-color: #9999CC; color: black;}table {font-family:'Trebuchet MS',Arial,Helvetica,sans-serif;width:100%;border-collapse:collapse;}table.detail, table.detail tr.parent, table.detail td, table.detail th, table.detail tr.category {border-collapse:collapse;border:1px solid #98bf21;}table.detail th {font-size: 1.2em;text-align: center;padding-top: 5px;padding-bottom: 10px;background-color: #a7c942;color: #ffffff;}td.ca {text-align:center;}footer {  margin: 50px 0;}</style><script>function test(pageNumber){  var page="#page-id-"+pageNumber;  $('.select').hide() ; $(page).show()}</script></head><body><div class="container"><div class="lm-table-warning">Results of HMDB queries - Search params : Molecular specie = neutral / delta (mass-to-charge ratio) = 0.001</div><div id="detail_table_source" style="display:none"></div><p><div id="choose"></div><p><div id="ms_search_0" class="ms-search-table"></div><!-- HeadRows--><table id="detail_table" class="detail"><col style="width:30px;"><!-- Ids (m/z)--><col style="width:30px;"><!-- Mass (m/z)--><col style="width:120px;"><!-- Met name--><col style="width:50px;"><!-- Cpd ID--><col style="width:40px;"><!-- formula--><col style="width:60px;"><!-- cpd mw--><col style="width:50px;"><!-- adduct --><col style="width:20px;"><!-- adduct type--><col style="width:60px;"><!-- adduct mw--><col style="width:50px;"><!-- delta--><col style="width:120px;"><!-- INCHI--><col style="width:20;"><!-- logP--><thead><th>ID from input</th><th>Mass (m/z)</th><th>Metabolite_Name</th><th>Compound_ID</th><th>Formula</th><th>Compound MW (Da)</th><th>Adduct</th><th>Adduct_Type</th><th>Adduct MW (Da)</th><th>Delta</th><th>InChI Identifier</th><th>Predicted LogP (ALOGPS)</th></thead><tbody class="select" id="page-id-1"><tr class="white"><td class="ca" >mz_00001</td><td id="1" class="ca" >7.02080998</td><td class="ca" colspan="10"></td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca">UNKNOWN</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/" target="_blank" class="btn">NONE</a></td><td class="ca">n/a</td><td class="ca">n/a</td><td class="ca">n/a</td><td class="ca">n/a</td><td class="ca">n/a</td><td class="ca">0</td><td class="ca">n/a</td><td class="ca">n/a</td></tr><tr class="green"><td class="ca" >mz_00002</td><td id="2" class="ca" >75.05547146</td><td class="ca" colspan="10"></td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca">UNKNOWN</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/" target="_blank" class="btn">NONE</a></td><td class="ca">n/a</td><td class="ca">n/a</td><td class="ca">n/a</td><td class="ca">n/a</td><td class="ca">n/a</td><td class="ca">0</td><td class="ca">n/a</td><td class="ca">n/a</td></tr><tr class="white"><td class="ca" >mz_00003</td><td id="3" class="ca" >75.08059797</td><td class="ca" colspan="10"></td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca">UNKNOWN</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/" target="_blank" class="btn">NONE</a></td><td class="ca">n/a</td><td class="ca">n/a</td><td class="ca">n/a</td><td class="ca">n/a</td><td class="ca">n/a</td><td class="ca">0</td><td class="ca">n/a</td><td class="ca">n/a</td></tr><tr class="green"><td class="ca" >mz_00004</td><td id="4" class="ca" >76.03942694</td><td class="ca" colspan="10"></td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca">UNKNOWN</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/" target="_blank" class="btn">NONE</a></td><td class="ca">n/a</td><td class="ca">n/a</td><td class="ca">n/a</td><td class="ca">n/a</td><td class="ca">n/a</td><td class="ca">0</td><td class="ca">n/a</td><td class="ca">n/a</td></tr></tbody><tbody class="select" id="page-id-2"><tr class="white"><td class="ca" >mz_00005</td><td id="5" class="ca" >76.07584477</td><td class="ca" colspan="10"></td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca">UNKNOWN</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/" target="_blank" class="btn">NONE</a></td><td class="ca">n/a</td><td class="ca">n/a</td><td class="ca">n/a</td><td class="ca">n/a</td><td class="ca">n/a</td><td class="ca">0</td><td class="ca">n/a</td><td class="ca">n/a</td></tr><tr class="green"><td class="ca" >mz_00006</td><td id="6" class="ca" >76.07593168</td><td class="ca" colspan="10"></td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca">UNKNOWN</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/" target="_blank" class="btn">NONE</a></td><td class="ca">n/a</td><td class="ca">n/a</td><td class="ca">n/a</td><td class="ca">n/a</td><td class="ca">n/a</td><td class="ca">0</td><td class="ca">n/a</td><td class="ca">n/a</td></tr></tbody></table></div><div class="container"><hr><footer><div class="row">  <div class="col-lg-12"><p>Copyright &copy; INRA, N Paulhe, F Giacomoni 2014 </p>  </div> </div> </footer></div><script language="javascript">$(function() {$('#choose').pagination({items: 2,itemsOnPage: 1,currentPage: 1,onInit: function () { test(1); },cssStyle: 'light-theme',onPageClick: function(pageNumber){test(pageNumber)}}).pagination('redraw');});</script></body></html>
\ No newline at end of file
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/out_test01.tabular	Wed Nov 23 09:31:50 2016 -0500
@@ -0,0 +1,7 @@
+id	mz	rt	hmdb(delta::name::mz::formula::adduct::id)
+1	7.02080998	49.38210915	NONE
+2	75.05547146	0.658528069	NONE
+3	75.08059797	1743.94267	NONE
+4	76.03942694	51.23158899	NONE
+5	76.07584477	50.51249853	NONE
+6	76.07593168	0.149308136	NONE
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/out_test01.xlsx	Wed Nov 23 09:31:50 2016 -0500
@@ -0,0 +1,7 @@
+ID	Query(Da)	Delta	Metabolite_Name	Cpd_MW(Da)	Formula	Adduct	Adduct_MW(Da)	HMDB_ID
+mz_00001	7.02080998	0	UNKNOWN	N/A	N/A	N/A	N/A	N/A
+mz_00002	75.05547146	0	UNKNOWN	N/A	N/A	N/A	N/A	N/A
+mz_00003	75.08059797	0	UNKNOWN	N/A	N/A	N/A	N/A	N/A
+mz_00004	76.03942694	0	UNKNOWN	N/A	N/A	N/A	N/A	N/A
+mz_00005	76.07584477	0	UNKNOWN	N/A	N/A	N/A	N/A	N/A
+mz_00006	76.07593168	0	UNKNOWN	N/A	N/A	N/A	N/A	N/A
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/out_test02.html	Wed Nov 23 09:31:50 2016 -0500
@@ -0,0 +1,1 @@
+<?xml version="1.0" encoding="UTF-8" ?><!DOCTYPE html><html lang="en"><head><meta charset="utf-8"><meta name="viewport" content="width=device-width, initial-scale=1.0"><meta name="description" content=""><meta name="author" content="INRA de Clermont-Ferrand"><title>Galaxy HMDB queries - All results</title><link rel="stylesheet" type="text/css" href="css.php" media="all"><link rel="stylesheet" type="text/css" href="https://cdn.rawgit.com/fgiacomoni/galaxy_utils/master/style/simplePagination.css"/><!-- JavaScript --><script src="https://ajax.googleapis.com/ajax/libs/jquery/1.7.2/jquery.min.js"></script><script src="https://cdn.rawgit.com/fgiacomoni/galaxy_utils/master/scripts/jquery.simplePagination.js"></script><style type="text/css">body {padding-top: 70px}div.lm-table-warning {  font-size: 1.4em;  font-weight: bold;  padding-right: 25px;  color: #21536a;  margin-left: 3px;}tr.green td  {background-color: #eaf2d3; color: black;}tr.blank td {background-color: #9999CC; color: black;}table {font-family:'Trebuchet MS',Arial,Helvetica,sans-serif;width:100%;border-collapse:collapse;}table.detail, table.detail tr.parent, table.detail td, table.detail th, table.detail tr.category {border-collapse:collapse;border:1px solid #98bf21;}table.detail th {font-size: 1.2em;text-align: center;padding-top: 5px;padding-bottom: 10px;background-color: #a7c942;color: #ffffff;}td.ca {text-align:center;}footer {  margin: 50px 0;}</style><script>function test(pageNumber){  var page="#page-id-"+pageNumber;  $('.select').hide() ; $(page).show()}</script></head><body><div class="container"><div class="lm-table-warning">Results of HMDB queries - Search params : Molecular specie = positive / delta (mass-to-charge ratio) = 0.001</div><div id="detail_table_source" style="display:none"></div><p><div id="choose"></div><p><div id="ms_search_0" class="ms-search-table"></div><!-- HeadRows--><table id="detail_table" class="detail"><col style="width:30px;"><!-- Ids (m/z)--><col style="width:30px;"><!-- Mass (m/z)--><col style="width:120px;"><!-- Met name--><col style="width:50px;"><!-- Cpd ID--><col style="width:40px;"><!-- formula--><col style="width:60px;"><!-- cpd mw--><col style="width:50px;"><!-- adduct --><col style="width:20px;"><!-- adduct type--><col style="width:60px;"><!-- adduct mw--><col style="width:50px;"><!-- delta--><col style="width:120px;"><!-- INCHI--><col style="width:20;"><!-- logP--><thead><th>ID from input</th><th>Mass (m/z)</th><th>Metabolite_Name</th><th>Compound_ID</th><th>Formula</th><th>Compound MW (Da)</th><th>Adduct</th><th>Adduct_Type</th><th>Adduct MW (Da)</th><th>Delta</th><th>InChI Identifier</th><th>Predicted LogP (ALOGPS)</th></thead><tbody class="select" id="page-id-1"><tr class="white"><td class="ca" >mz_00001</td><td id="1" class="ca" >7.02080998</td><td class="ca" colspan="10"></td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca">UNKNOWN</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/" target="_blank" class="btn">NONE</a></td><td class="ca">n/a</td><td class="ca">n/a</td><td class="ca">n/a</td><td class="ca">n/a</td><td class="ca">n/a</td><td class="ca">0</td><td class="ca">n/a</td><td class="ca">n/a</td></tr><tr class="green"><td class="ca" >mz_00002</td><td id="2" class="ca" >75.05547146</td><td class="ca" colspan="10"></td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca">N-Nitrosodimethylamine</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31419" target="_blank" class="btn">HMDB31419</a></td><td class="ca">C2H6N2O</td><td class="ca">74.048012824</td><td class="ca">M+H</td><td class="ca">+</td><td class="ca">75.055289</td><td class="ca">0.00018246</td><td class="ca">InChI=1S/C2H6N2O/c1-4(2)3-5/h1-2H3</td><td class="ca">-0.53</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca">Acetylhydrazine</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB60428" target="_blank" class="btn">HMDB60428</a></td><td class="ca">C2H6N2O</td><td class="ca">74.048012824</td><td class="ca">M+H</td><td class="ca">+</td><td class="ca">75.055289</td><td class="ca">0.00018246</td><td class="ca">InChI=1S/C2H6N2O/c1-2(5)4-3/h3H2,1H3,(H,4,5)</td><td class="ca">-0.78</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca">Creatine</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00064" target="_blank" class="btn">HMDB00064</a></td><td class="ca">C4H9N3O2</td><td class="ca">131.069476547</td><td class="ca">M+H+NH4</td><td class="ca">+</td><td class="ca">75.055288</td><td class="ca">0.00018346</td><td class="ca">InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9)</td><td class="ca">-1.59</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca">Beta-Guanidinopropionic acid</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB13222" target="_blank" class="btn">HMDB13222</a></td><td class="ca">C4H9N3O2</td><td class="ca">131.069476547</td><td class="ca">M+H+NH4</td><td class="ca">+</td><td class="ca">75.055288</td><td class="ca">0.00018346</td><td class="ca">InChI=1S/C4H9N3O2/c5-4(6)7-2-1-3(8)9/h1-2H2,(H,8,9)(H4,5,6,7)</td><td class="ca">-1.70</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca">Nitrogen oxides</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB32439" target="_blank" class="btn">HMDB32439</a></td><td class="ca">H3NO</td><td class="ca">33.021463723</td><td class="ca">M+ACN+H</td><td class="ca">+</td><td class="ca">75.055287</td><td class="ca">0.00018446</td><td class="ca">InChI=1S/H3NO/c1-2/h1H3</td><td class="ca">NA</td></tr><tr class="white"><td class="ca" >mz_00003</td><td id="3" class="ca" >75.08059797</td><td class="ca" colspan="10"></td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca">1-Butanol</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB04327" target="_blank" class="btn">HMDB04327</a></td><td class="ca">C4H10O</td><td class="ca">74.073164942</td><td class="ca">M+H</td><td class="ca">+</td><td class="ca">75.080441</td><td class="ca">0.00015697</td><td class="ca">InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3</td><td class="ca">0.84</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca">UNKNOWN</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB62103" target="_blank" class="btn">HMDB62103</a></td><td class="ca">C4H10O</td><td class="ca">74.073164942</td><td class="ca">M+H</td><td class="ca">+</td><td class="ca">75.080441</td><td class="ca">0.00015697</td><td class="ca">NA</td><td class="ca">NA</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca">2-Butanol</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB11469" target="_blank" class="btn">HMDB11469</a></td><td class="ca">C4H10O</td><td class="ca">74.073164942</td><td class="ca">M+H</td><td class="ca">+</td><td class="ca">75.080441</td><td class="ca">0.00015697</td><td class="ca">InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3</td><td class="ca">0.66</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca">Isobutanol</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB06006" target="_blank" class="btn">HMDB06006</a></td><td class="ca">C4H10O</td><td class="ca">74.073164942</td><td class="ca">M+H</td><td class="ca">+</td><td class="ca">75.080441</td><td class="ca">0.00015697</td><td class="ca">InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3</td><td class="ca">0.60</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca">2-Methylpropan-2-ol</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31456" target="_blank" class="btn">HMDB31456</a></td><td class="ca">C4H10O</td><td class="ca">74.073164942</td><td class="ca">M+H</td><td class="ca">+</td><td class="ca">75.080441</td><td class="ca">0.00015697</td><td class="ca">InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3</td><td class="ca">0.70</td></tr><tr class="green"><td class="ca" >mz_00004</td><td id="4" class="ca" >76.03942694</td><td class="ca" colspan="10"></td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca">L-Aspartic acid</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00191" target="_blank" class="btn">HMDB00191</a></td><td class="ca">C4H7NO4</td><td class="ca">133.037507717</td><td class="ca">M+H+NH4</td><td class="ca">+</td><td class="ca">76.039304</td><td class="ca">0.00012294</td><td class="ca">InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1</td><td class="ca">-3.52</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca">Ethyl nitrite</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31239" target="_blank" class="btn">HMDB31239</a></td><td class="ca">C2H5NO2</td><td class="ca">75.032028409</td><td class="ca">M+H</td><td class="ca">+</td><td class="ca">76.039304</td><td class="ca">0.00012294</td><td class="ca">InChI=1S/C2H5NO2/c1-2-5-3-4/h2H2,1H3</td><td class="ca">0.42</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca">Glycine</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00123" target="_blank" class="btn">HMDB00123</a></td><td class="ca">C2H5NO2</td><td class="ca">75.032028409</td><td class="ca">M+H</td><td class="ca">+</td><td class="ca">76.039304</td><td class="ca">0.00012294</td><td class="ca">InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)</td><td class="ca">-3.34</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca">Acetohydroxamic Acid</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB14691" target="_blank" class="btn">HMDB14691</a></td><td class="ca">C2H5NO2</td><td class="ca">75.032028409</td><td class="ca">M+H</td><td class="ca">+</td><td class="ca">76.039304</td><td class="ca">0.00012294</td><td class="ca">InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)</td><td class="ca">-1.46</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca">Iminodiacetic acid</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB11753" target="_blank" class="btn">HMDB11753</a></td><td class="ca">C4H7NO4</td><td class="ca">133.037507717</td><td class="ca">M+H+NH4</td><td class="ca">+</td><td class="ca">76.039304</td><td class="ca">0.00012294</td><td class="ca">InChI=1S/C4H7NO4/c6-3(7)1-5-2-4(8)9/h5H,1-2H2,(H,6,7)(H,8,9)</td><td class="ca">-2.50</td></tr></tbody><tbody class="select" id="page-id-2"><tr class="white"><td class="ca" >mz_00005</td><td id="5" class="ca" >76.07584477</td><td class="ca" colspan="10"></td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca">1-Amino-propan-2-ol</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB12136" target="_blank" class="btn">HMDB12136</a></td><td class="ca">C3H9NO</td><td class="ca">75.068413915</td><td class="ca">M+H</td><td class="ca">+</td><td class="ca">76.07569</td><td class="ca">0.00015477</td><td class="ca">InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3</td><td class="ca">-1.03</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca">Trimethylamine N-oxide</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00925" target="_blank" class="btn">HMDB00925</a></td><td class="ca">C3H9NO</td><td class="ca">75.068413915</td><td class="ca">M+H</td><td class="ca">+</td><td class="ca">76.07569</td><td class="ca">0.00015477</td><td class="ca">InChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3</td><td class="ca">-2.01</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca">Allyl alcohol</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31652" target="_blank" class="btn">HMDB31652</a></td><td class="ca">C3H6O</td><td class="ca">58.041864814</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">76.075688</td><td class="ca">0.00015677</td><td class="ca">InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2</td><td class="ca">-0.03</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca">UNKNOWN</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB62143" target="_blank" class="btn">HMDB62143</a></td><td class="ca">C3H6O</td><td class="ca">58.041864813</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">76.075688</td><td class="ca">0.00015677</td><td class="ca">NA</td><td class="ca">NA</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca">Methyloxirane</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31558" target="_blank" class="btn">HMDB31558</a></td><td class="ca">C3H6O</td><td class="ca">58.041864814</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">76.075688</td><td class="ca">0.00015677</td><td class="ca">InChI=1/C3H6O/c1-3-2-4-3/h3H,2H2,1H3</td><td class="ca">0.04</td></tr><tr class="green"><td class="ca" >mz_00006</td><td id="6" class="ca" >76.07593168</td><td class="ca" colspan="10"></td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca">1-Amino-propan-2-ol</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB12136" target="_blank" class="btn">HMDB12136</a></td><td class="ca">C3H9NO</td><td class="ca">75.068413915</td><td class="ca">M+H</td><td class="ca">+</td><td class="ca">76.07569</td><td class="ca">0.00024168</td><td class="ca">InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3</td><td class="ca">-1.03</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca">Trimethylamine N-oxide</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00925" target="_blank" class="btn">HMDB00925</a></td><td class="ca">C3H9NO</td><td class="ca">75.068413915</td><td class="ca">M+H</td><td class="ca">+</td><td class="ca">76.07569</td><td class="ca">0.00024168</td><td class="ca">InChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3</td><td class="ca">-2.01</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca">Allyl alcohol</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31652" target="_blank" class="btn">HMDB31652</a></td><td class="ca">C3H6O</td><td class="ca">58.041864814</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">76.075688</td><td class="ca">0.00024368</td><td class="ca">InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2</td><td class="ca">-0.03</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca">UNKNOWN</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB62143" target="_blank" class="btn">HMDB62143</a></td><td class="ca">C3H6O</td><td class="ca">58.041864813</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">76.075688</td><td class="ca">0.00024368</td><td class="ca">NA</td><td class="ca">NA</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca">Methyloxirane</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31558" target="_blank" class="btn">HMDB31558</a></td><td class="ca">C3H6O</td><td class="ca">58.041864814</td><td class="ca">M+NH4</td><td class="ca">+</td><td class="ca">76.075688</td><td class="ca">0.00024368</td><td class="ca">InChI=1/C3H6O/c1-3-2-4-3/h3H,2H2,1H3</td><td class="ca">0.04</td></tr></tbody></table></div><div class="container"><hr><footer><div class="row">  <div class="col-lg-12"><p>Copyright &copy; INRA, N Paulhe, F Giacomoni 2014 </p>  </div> </div> </footer></div><script language="javascript">$(function() {$('#choose').pagination({items: 2,itemsOnPage: 1,currentPage: 1,onInit: function () { test(1); },cssStyle: 'light-theme',onPageClick: function(pageNumber){test(pageNumber)}}).pagination('redraw');});</script></body></html>
\ No newline at end of file
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/out_test02.tabular	Wed Nov 23 09:31:50 2016 -0500
@@ -0,0 +1,7 @@
+id	mz	rt	hmdb(delta::name::mz::formula::adduct::id)
+1	7.02080998	49.38210915	NONE
+2	75.05547146	0.658528069	0.00018246::[N-Nitrosodimethylamine]::74.048012824::C2H6N2O::[M+H]::HMDB31419 | 0.00018246::[Acetylhydrazine]::74.048012824::C2H6N2O::[M+H]::HMDB60428 | 0.00018346::[Creatine]::131.069476547::C4H9N3O2::[M+H+NH4]::HMDB00064 | 0.00018346::[Beta-Guanidinopropionic acid]::131.069476547::C4H9N3O2::[M+H+NH4]::HMDB13222 | 0.00018446::[Nitrogen oxides]::33.021463723::H3NO::[M+ACN+H]::HMDB32439
+3	75.08059797	1743.94267	0.00015697::[1-Butanol]::74.073164942::C4H10O::[M+H]::HMDB04327 | 0.00015697::[UNKNOWN]::74.073164942::C4H10O::[M+H]::HMDB62103 | 0.00015697::[2-Butanol]::74.073164942::C4H10O::[M+H]::HMDB11469 | 0.00015697::[Isobutanol]::74.073164942::C4H10O::[M+H]::HMDB06006 | 0.00015697::[2-Methylpropan-2-ol]::74.073164942::C4H10O::[M+H]::HMDB31456
+4	76.03942694	51.23158899	0.00012294::[L-Aspartic acid]::133.037507717::C4H7NO4::[M+H+NH4]::HMDB00191 | 0.00012294::[Ethyl nitrite]::75.032028409::C2H5NO2::[M+H]::HMDB31239 | 0.00012294::[Glycine]::75.032028409::C2H5NO2::[M+H]::HMDB00123 | 0.00012294::[Acetohydroxamic Acid]::75.032028409::C2H5NO2::[M+H]::HMDB14691 | 0.00012294::[Iminodiacetic acid]::133.037507717::C4H7NO4::[M+H+NH4]::HMDB11753
+5	76.07584477	50.51249853	0.00015477::[1-Amino-propan-2-ol]::75.068413915::C3H9NO::[M+H]::HMDB12136 | 0.00015477::[Trimethylamine N-oxide]::75.068413915::C3H9NO::[M+H]::HMDB00925 | 0.00015677::[Allyl alcohol]::58.041864814::C3H6O::[M+NH4]::HMDB31652 | 0.00015677::[UNKNOWN]::58.041864813::C3H6O::[M+NH4]::HMDB62143 | 0.00015677::[Methyloxirane]::58.041864814::C3H6O::[M+NH4]::HMDB31558
+6	76.07593168	0.149308136	0.00024168::[1-Amino-propan-2-ol]::75.068413915::C3H9NO::[M+H]::HMDB12136 | 0.00024168::[Trimethylamine N-oxide]::75.068413915::C3H9NO::[M+H]::HMDB00925 | 0.00024368::[Allyl alcohol]::58.041864814::C3H6O::[M+NH4]::HMDB31652 | 0.00024368::[UNKNOWN]::58.041864813::C3H6O::[M+NH4]::HMDB62143 | 0.00024368::[Methyloxirane]::58.041864814::C3H6O::[M+NH4]::HMDB31558
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/out_test02.xlsx	Wed Nov 23 09:31:50 2016 -0500
@@ -0,0 +1,27 @@
+ID	Query(Da)	Delta	Metabolite_Name	Cpd_MW(Da)	Formula	Adduct	Adduct_MW(Da)	HMDB_ID
+mz_00001	7.02080998	0	UNKNOWN	N/A	N/A	N/A	N/A	N/A
+mz_00002	75.05547146	0.00018246	[N-Nitrosodimethylamine]	74.048012824	C2H6N2O	[M+H]	75.055289	HMDB31419
+mz_00002	75.05547146	0.00018246	[Acetylhydrazine]	74.048012824	C2H6N2O	[M+H]	75.055289	HMDB60428
+mz_00002	75.05547146	0.00018346	[Creatine]	131.069476547	C4H9N3O2	[M+H+NH4]	75.055288	HMDB00064
+mz_00002	75.05547146	0.00018346	[Beta-Guanidinopropionic acid]	131.069476547	C4H9N3O2	[M+H+NH4]	75.055288	HMDB13222
+mz_00002	75.05547146	0.00018446	[Nitrogen oxides]	33.021463723	H3NO	[M+ACN+H]	75.055287	HMDB32439
+mz_00003	75.08059797	0.00015697	[1-Butanol]	74.073164942	C4H10O	[M+H]	75.080441	HMDB04327
+mz_00003	75.08059797	0.00015697	[UNKNOWN]	74.073164942	C4H10O	[M+H]	75.080441	HMDB62103
+mz_00003	75.08059797	0.00015697	[2-Butanol]	74.073164942	C4H10O	[M+H]	75.080441	HMDB11469
+mz_00003	75.08059797	0.00015697	[Isobutanol]	74.073164942	C4H10O	[M+H]	75.080441	HMDB06006
+mz_00003	75.08059797	0.00015697	[2-Methylpropan-2-ol]	74.073164942	C4H10O	[M+H]	75.080441	HMDB31456
+mz_00004	76.03942694	0.00012294	[L-Aspartic acid]	133.037507717	C4H7NO4	[M+H+NH4]	76.039304	HMDB00191
+mz_00004	76.03942694	0.00012294	[Ethyl nitrite]	75.032028409	C2H5NO2	[M+H]	76.039304	HMDB31239
+mz_00004	76.03942694	0.00012294	[Glycine]	75.032028409	C2H5NO2	[M+H]	76.039304	HMDB00123
+mz_00004	76.03942694	0.00012294	[Acetohydroxamic Acid]	75.032028409	C2H5NO2	[M+H]	76.039304	HMDB14691
+mz_00004	76.03942694	0.00012294	[Iminodiacetic acid]	133.037507717	C4H7NO4	[M+H+NH4]	76.039304	HMDB11753
+mz_00005	76.07584477	0.00015477	[1-Amino-propan-2-ol]	75.068413915	C3H9NO	[M+H]	76.07569	HMDB12136
+mz_00005	76.07584477	0.00015477	[Trimethylamine N-oxide]	75.068413915	C3H9NO	[M+H]	76.07569	HMDB00925
+mz_00005	76.07584477	0.00015677	[Allyl alcohol]	58.041864814	C3H6O	[M+NH4]	76.075688	HMDB31652
+mz_00005	76.07584477	0.00015677	[UNKNOWN]	58.041864813	C3H6O	[M+NH4]	76.075688	HMDB62143
+mz_00005	76.07584477	0.00015677	[Methyloxirane]	58.041864814	C3H6O	[M+NH4]	76.075688	HMDB31558
+mz_00006	76.07593168	0.00024168	[1-Amino-propan-2-ol]	75.068413915	C3H9NO	[M+H]	76.07569	HMDB12136
+mz_00006	76.07593168	0.00024168	[Trimethylamine N-oxide]	75.068413915	C3H9NO	[M+H]	76.07569	HMDB00925
+mz_00006	76.07593168	0.00024368	[Allyl alcohol]	58.041864814	C3H6O	[M+NH4]	76.075688	HMDB31652
+mz_00006	76.07593168	0.00024368	[UNKNOWN]	58.041864813	C3H6O	[M+NH4]	76.075688	HMDB62143
+mz_00006	76.07593168	0.00024368	[Methyloxirane]	58.041864814	C3H6O	[M+NH4]	76.075688	HMDB31558
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/out_test03.html	Wed Nov 23 09:31:50 2016 -0500
@@ -0,0 +1,1 @@
+<?xml version="1.0" encoding="UTF-8" ?><!DOCTYPE html><html lang="en"><head><meta charset="utf-8"><meta name="viewport" content="width=device-width, initial-scale=1.0"><meta name="description" content=""><meta name="author" content="INRA de Clermont-Ferrand"><title>Galaxy HMDB queries - All results</title><link rel="stylesheet" type="text/css" href="css.php" media="all"><link rel="stylesheet" type="text/css" href="https://cdn.rawgit.com/fgiacomoni/galaxy_utils/master/style/simplePagination.css"/><!-- JavaScript --><script src="https://ajax.googleapis.com/ajax/libs/jquery/1.7.2/jquery.min.js"></script><script src="https://cdn.rawgit.com/fgiacomoni/galaxy_utils/master/scripts/jquery.simplePagination.js"></script><style type="text/css">body {padding-top: 70px}div.lm-table-warning {  font-size: 1.4em;  font-weight: bold;  padding-right: 25px;  color: #21536a;  margin-left: 3px;}tr.green td  {background-color: #eaf2d3; color: black;}tr.blank td {background-color: #9999CC; color: black;}table {font-family:'Trebuchet MS',Arial,Helvetica,sans-serif;width:100%;border-collapse:collapse;}table.detail, table.detail tr.parent, table.detail td, table.detail th, table.detail tr.category {border-collapse:collapse;border:1px solid #98bf21;}table.detail th {font-size: 1.2em;text-align: center;padding-top: 5px;padding-bottom: 10px;background-color: #a7c942;color: #ffffff;}td.ca {text-align:center;}footer {  margin: 50px 0;}</style><script>function test(pageNumber){  var page="#page-id-"+pageNumber;  $('.select').hide() ; $(page).show()}</script></head><body><div class="container"><div class="lm-table-warning">Results of HMDB queries - Search params : Molecular specie = positive / delta (mass-to-charge ratio) = 0.05</div><div id="detail_table_source" style="display:none"></div><p><div id="choose"></div><p><div id="ms_search_0" class="ms-search-table"></div><!-- HeadRows--><table id="detail_table" class="detail"><col style="width:30px;"><!-- Ids (m/z)--><col style="width:30px;"><!-- Mass (m/z)--><col style="width:120px;"><!-- Met name--><col style="width:50px;"><!-- Cpd ID--><col style="width:40px;"><!-- formula--><col style="width:60px;"><!-- cpd mw--><col style="width:50px;"><!-- adduct --><col style="width:20px;"><!-- adduct type--><col style="width:60px;"><!-- adduct mw--><col style="width:50px;"><!-- delta--><col style="width:120px;"><!-- INCHI--><col style="width:20;"><!-- logP--><thead><th>ID from input</th><th>Mass (m/z)</th><th>Metabolite_Name</th><th>Compound_ID</th><th>Formula</th><th>Compound MW (Da)</th><th>Adduct</th><th>Adduct_Type</th><th>Adduct MW (Da)</th><th>Delta</th><th>InChI Identifier</th><th>Predicted LogP (ALOGPS)</th></thead><tbody class="select" id="page-id-1"><tr class="white"><td class="ca" >mz_00001</td><td id="1" class="ca" >175.01</td><td class="ca" colspan="10"></td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca">Hydroxidodioxidosulfidosulfate</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB60293" target="_blank" class="btn">HMDB60293</a></td><td class="ca">H2O3S2</td><td class="ca">113.94453531</td><td class="ca">M+IsoProp+H</td><td class="ca">+</td><td class="ca">175.009875</td><td class="ca">0.000125</td><td class="ca">InChI=1S/H2O3S2/c1-5(2,3)4/h(H2,1,2,3,4)</td><td class="ca">NA</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca">Mesna</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB03745" target="_blank" class="btn">HMDB03745</a></td><td class="ca">C2H6O3S2</td><td class="ca">141.975835438</td><td class="ca">M+CH3OH+H</td><td class="ca">+</td><td class="ca">175.009324</td><td class="ca">0.000676</td><td class="ca">InChI=1S/C2H6O3S2/c3-7(4,5)2-1-6/h6H,1-2H2,(H,3,4,5)</td><td class="ca">-1.53</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca">Silicic acid</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31436" target="_blank" class="btn">HMDB31436</a></td><td class="ca">H4O4Si</td><td class="ca">95.987885149</td><td class="ca">M+DMSO+H</td><td class="ca">+</td><td class="ca">175.009105</td><td class="ca">0.000895</td><td class="ca">InChI=1S/H4O4Si/c1-5(2,3)4/h1-4H</td><td class="ca">NA</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca">De-O-methylsterigmatocystin</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33657" target="_blank" class="btn">HMDB33657</a></td><td class="ca">C17H10O6</td><td class="ca">310.047738052</td><td class="ca">M+H+K</td><td class="ca">+</td><td class="ca">175.009086</td><td class="ca">0.000914</td><td class="ca">InChI=1/C17H10O6/c18-8-2-1-3-10-13(8)15(20)14-9(19)6-11-12(16(14)22-10)7-4-5-21-17(7)23-11/h1-7,17-19H</td><td class="ca">2.72</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca">Aurantricholide B</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35230" target="_blank" class="btn">HMDB35230</a></td><td class="ca">C17H10O6</td><td class="ca">310.047738052</td><td class="ca">M+H+K</td><td class="ca">+</td><td class="ca">175.009086</td><td class="ca">0.000914</td><td class="ca">InChI=1S/C17H10O6/c18-10-3-1-8(2-4-10)15-16-14(23-17(15)21)6-9-5-11(19)12(20)7-13(9)22-16/h1-7,18-20H</td><td class="ca">3.05</td></tr><tr class="green"><td class="ca" >mz_00002</td><td id="2" class="ca" >238.19</td><td class="ca" colspan="10"></td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca">Alpha-Terpineol</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB04043" target="_blank" class="btn">HMDB04043</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td><td class="ca">InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3/t9-/m0/s1</td><td class="ca">3.17</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca">(S)-alpha-Terpineol</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB36086" target="_blank" class="btn">HMDB36086</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td><td class="ca">InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3/t9-/m1/s1</td><td class="ca">3.17</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca">Eucalyptol</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB04472" target="_blank" class="btn">HMDB04472</a></td><td class="ca">C10H18O</td><td class="ca">154.1357652</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td><td class="ca">InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3</td><td class="ca">3.36</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca">Geraniol</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB05812" target="_blank" class="btn">HMDB05812</a></td><td class="ca">C10H18O</td><td class="ca">154.1357652</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td><td class="ca">InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7-</td><td class="ca">2.89</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca">trans-(-)-p-Menth-1-en-3-ol</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35861" target="_blank" class="btn">HMDB35861</a></td><td class="ca">C10H18O</td><td class="ca">154.135765198</td><td class="ca">M+IsoProp+Na+H</td><td class="ca">+</td><td class="ca">238.190875</td><td class="ca">0.000875</td><td class="ca">InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,9-11H,4-5H2,1-3H3/t9-,10+/m0/s1</td><td class="ca">2.64</td></tr><tr class="white"><td class="ca" >mz_00003</td><td id="3" class="ca" >420.16</td><td class="ca" colspan="10"></td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca">N-Desmethyl-O-hydroxy rosiglitazone</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB60836" target="_blank" class="btn">HMDB60836</a></td><td class="ca">C17H17N3O4S</td><td class="ca">359.093976737</td><td class="ca">M+IsoProp+H</td><td class="ca">+</td><td class="ca">420.159317</td><td class="ca">0.000683</td><td class="ca">InChI=1/C17H17N3O4S/c21-13-2-1-7-18-15(13)19-8-9-24-12-5-3-11(4-6-12)10-14-16(22)20-17(23)25-14/h1-7,14,21H,8-10H2,(H,18,19)(H,20,22,23)</td><td class="ca">2.33</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca">N-Desmethyl-p-hydroxyrosiglitazone</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB60838" target="_blank" class="btn">HMDB60838</a></td><td class="ca">C17H17N3O4S</td><td class="ca">359.093976737</td><td class="ca">M+IsoProp+H</td><td class="ca">+</td><td class="ca">420.159317</td><td class="ca">0.000683</td><td class="ca">InChI=1/C17H17N3O4S/c21-12-3-6-15(19-10-12)18-7-8-24-13-4-1-11(2-5-13)9-14-16(22)20-17(23)25-14/h1-6,10,14,21H,7-9H2,(H,18,19)(H,20,22,23)</td><td class="ca">2.31</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca">Benzyl glycinate 4-methylbenzenesulfonate salt</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33374" target="_blank" class="btn">HMDB33374</a></td><td class="ca">C16H19NO5S</td><td class="ca">337.098393413</td><td class="ca">M+2ACN+H</td><td class="ca">+</td><td class="ca">420.158763</td><td class="ca">0.001237</td><td class="ca">InChI=1S/C9H11NO2.C7H8O3S/c10-6-9(11)12-7-8-4-2-1-3-5-8;1-6-2-4-7(5-3-6)11(8,9)10/h1-5H,6-7,10H2;2-5H,1H3,(H,8,9,10)</td><td class="ca">NA</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca">Glutarylglycine</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB00590" target="_blank" class="btn">HMDB00590</a></td><td class="ca">C7H11NO5</td><td class="ca">189.063722467</td><td class="ca">2M+ACN+H</td><td class="ca">+</td><td class="ca">420.161268</td><td class="ca">0.001268</td><td class="ca">InChI=1S/C7H11NO5/c9-5(8-4-7(12)13)2-1-3-6(10)11/h1-4H2,(H,8,9)(H,10,11)(H,12,13)</td><td class="ca">-0.82</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca">N-Acetylglutamic acid</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB01138" target="_blank" class="btn">HMDB01138</a></td><td class="ca">C7H11NO5</td><td class="ca">189.063722467</td><td class="ca">2M+ACN+H</td><td class="ca">+</td><td class="ca">420.161268</td><td class="ca">0.001268</td><td class="ca">InChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)</td><td class="ca">-0.67</td></tr><tr class="green"><td class="ca" >mz_00004</td><td id="4" class="ca" >780.32</td><td class="ca" colspan="10"></td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca">Niazicinin A</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB31947" target="_blank" class="btn">HMDB31947</a></td><td class="ca">C17H23NO8</td><td class="ca">369.142366717</td><td class="ca">2M+ACN+H</td><td class="ca">+</td><td class="ca">780.318556</td><td class="ca">0.001444</td><td class="ca">InChI=1S/C17H23NO8/c1-9-15(25-10(2)19)13(20)14(21)16(24-9)26-12-6-4-11(5-7-12)8-18-17(22)23-3/h4-7,9,13-16,20-21H,8H2,1-3H3,(H,18,22)</td><td class="ca">0.57</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca">Mulberrofuran T</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35940" target="_blank" class="btn">HMDB35940</a></td><td class="ca">C44H44O9</td><td class="ca">716.298533006</td><td class="ca">M+ACN+Na</td><td class="ca">+</td><td class="ca">780.314298</td><td class="ca">0.005702</td><td class="ca">InChI=1/C44H44O9/c1-22(2)6-10-29-34(46)15-13-31(42(29)51)43(52)40-32(28-12-9-27(45)21-36(28)48)16-24(5)17-33(40)41-37(49)18-26(19-38(41)50)39-20-25-8-14-35(47)30(44(25)53-39)11-7-23(3)4/h6-9,12-15,17-21,32-33,40,45-51H,10-11,16H2,1-5H3</td><td class="ca">5.95</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca">2'-Hydroxy-3',4',5',7,8-pentamethoxyflavan</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB33906" target="_blank" class="btn">HMDB33906</a></td><td class="ca">C20H24O7</td><td class="ca">376.152203122</td><td class="ca">2M+3H2O+2H</td><td class="ca">+</td><td class="ca">780.327526</td><td class="ca">0.007526</td><td class="ca">InChI=1/C20H24O7/c1-22-14-9-7-11-6-8-13(27-17(11)18(14)24-3)12-10-15(23-2)19(25-4)20(26-5)16(12)21/h7,9-10,13,21H,6,8H2,1-5H3</td><td class="ca">2.58</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca">trans-Grandmarin isovalerate</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB39032" target="_blank" class="btn">HMDB39032</a></td><td class="ca">C20H24O7</td><td class="ca">376.152203122</td><td class="ca">2M+3H2O+2H</td><td class="ca">+</td><td class="ca">780.327526</td><td class="ca">0.007526</td><td class="ca">InChI=1/C20H24O7/c1-10(2)8-15(22)26-19-17(23)16-13(27-20(19,3)4)9-12(24-5)11-6-7-14(21)25-18(11)16/h6-7,9-10,17,19,23H,8H2,1-5H3</td><td class="ca">2.89</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca">(1E,4Z,6a,8b,10a)-8-Angeloyloxy-10,15-dihydroxy-3-oxo-1,4,11(13)-germacratrien-12,6-olide</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB32731" target="_blank" class="btn">HMDB32731</a></td><td class="ca">C20H24O7</td><td class="ca">376.152203122</td><td class="ca">2M+3H2O+2H</td><td class="ca">+</td><td class="ca">780.327526</td><td class="ca">0.007526</td><td class="ca">InChI=1/C20H24O7/c1-5-11(2)18(23)27-16-9-20(4,25)7-6-14(22)13(10-21)8-15-17(16)12(3)19(24)26-15/h5-8,15-17,21,25H,3,9-10H2,1-2,4H3/b7-6-,11-5+,13-8-</td><td class="ca">0.83</td></tr></tbody><tbody class="select" id="page-id-2"><tr class="white"><td class="ca" >mz_00005</td><td id="5" class="ca" >956.25</td><td class="ca" colspan="10"></td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca">Pelargonidin 3-O-[b-D-Glucopyranosyl-(1->2)-[4-hydroxy-3-methoxy-(E)-cinnamoyl-(->6)]-b-D-glucopyranoside] 5-O-b-D-glucopyranoside</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB35451" target="_blank" class="btn">HMDB35451</a></td><td class="ca">C43H49O23</td><td class="ca">933.266462874</td><td class="ca">M+Na</td><td class="ca">+</td><td class="ca">956.255681</td><td class="ca">0.005681</td><td class="ca">InChI=1/C43H48O23/c1-58-25-10-17(2-8-22(25)48)3-9-30(49)59-16-29-33(52)36(55)40(66-42-38(57)35(54)32(51)28(15-45)64-42)43(65-29)62-26-13-21-23(60-39(26)18-4-6-19(46)7-5-18)11-20(47)12-24(21)61-41-37(56)34(53)31(50)27(14-44)63-41/h2-13,27-29,31-38,40-45,50-57H,14-16H2,1H3,(H2-,46,47,48,49)/p+1</td><td class="ca">1.22</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca">Petanin</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB38095" target="_blank" class="btn">HMDB38095</a></td><td class="ca">C43H49O23</td><td class="ca">933.266462874</td><td class="ca">M+Na</td><td class="ca">+</td><td class="ca">956.255681</td><td class="ca">0.005681</td><td class="ca">InChI=1/C43H48O23/c1-16-39(66-29(48)8-5-17-3-6-19(45)7-4-17)35(54)38(57)41(60-16)59-15-28-32(51)34(53)37(56)43(65-28)63-26-13-21-23(61-40(26)18-9-22(47)30(49)25(10-18)58-2)11-20(46)12-24(21)62-42-36(55)33(52)31(50)27(14-44)64-42/h3-13,16,27-28,31-39,41-44,50-57H,14-15H2,1-2H3,(H3-,45,46,47,48,49)/p+1</td><td class="ca">1.58</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca">Kaempferide 3-rhamnoside</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB40803" target="_blank" class="btn">HMDB40803</a></td><td class="ca">C22H22O10</td><td class="ca">446.121296924</td><td class="ca">2M+ACN+Na</td><td class="ca">+</td><td class="ca">956.258359</td><td class="ca">0.008359</td><td class="ca">InChI=1/C22H22O10/c1-9-16(25)18(27)19(28)22(30-9)32-21-17(26)15-13(24)7-11(23)8-14(15)31-20(21)10-3-5-12(29-2)6-4-10/h3-9,16,18-19,22-25,27-28H,1-2H3</td><td class="ca">1.45</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca">Glycitin</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB02219" target="_blank" class="btn">HMDB02219</a></td><td class="ca">C22H22O10</td><td class="ca">446.121296924</td><td class="ca">2M+ACN+Na</td><td class="ca">+</td><td class="ca">956.258359</td><td class="ca">0.008359</td><td class="ca">InChI=1S/C22H22O10/c1-29-15-6-12-14(30-9-13(18(12)25)10-2-4-11(24)5-3-10)7-16(15)31-22-21(28)20(27)19(26)17(8-23)32-22/h2-7,9,17,19-24,26-28H,8H2,1H3</td><td class="ca">0.83</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca">Calycosin 7-galactoside</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB38821" target="_blank" class="btn">HMDB38821</a></td><td class="ca">C22H22O10</td><td class="ca">446.121296924</td><td class="ca">2M+ACN+Na</td><td class="ca">+</td><td class="ca">956.258359</td><td class="ca">0.008359</td><td class="ca">InChI=1/C22H22O10/c1-29-15-5-2-10(6-14(15)24)13-9-30-16-7-11(3-4-12(16)18(13)25)31-22-21(28)20(27)19(26)17(8-23)32-22/h2-7,9,17,19-24,26-28H,8H2,1H3</td><td class="ca">0.80</td></tr><tr class="green"><td class="ca" >mz_00006</td><td id="6" class="ca" >1100.45</td><td class="ca" colspan="10"></td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca">NPC</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB60499" target="_blank" class="btn">HMDB60499</a></td><td class="ca">C28H30N4O6</td><td class="ca">518.216534712</td><td class="ca">2M+ACN+Na</td><td class="ca">+</td><td class="ca">1100.448834</td><td class="ca">0.001166</td><td class="ca">InChI=1/C28H30N4O6/c1-3-17-18-11-16(38-27(35)31-9-7-15(29)8-10-31)5-6-22(18)30-24-19(17)13-32-23(24)12-21-20(25(32)33)14-37-26(34)28(21,36)4-2/h5-6,11-12,15,36H,3-4,7-10,13-14,29H2,1-2H3/t28-/s2</td><td class="ca">2.40</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca">Cellulose triacetate</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB32198" target="_blank" class="btn">HMDB32198</a></td><td class="ca">C30H34Cl2N4O</td><td class="ca">536.210967144</td><td class="ca">2M+3H2O+2H</td><td class="ca">+</td><td class="ca">1100.445054</td><td class="ca">0.004946</td><td class="ca">InChI=1S/C30H34Cl2N4O/c31-21-17-24(32)29-27(18-21)36-26-12-7-5-10-23(26)30(29)34-15-8-2-1-3-13-28(37)33-16-14-20-19-35-25-11-6-4-9-22(20)25/h4,6,9,11,17-19,35H,1-3,5,7-8,10,12-16H2,(H,33,37)(H,34,36)</td><td class="ca">7.37</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca">Lewis X trisaccharide</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB06568" target="_blank" class="btn">HMDB06568</a></td><td class="ca">C20H35NO15</td><td class="ca">529.200669455</td><td class="ca">2M+ACN+H</td><td class="ca">+</td><td class="ca">1100.435162</td><td class="ca">0.014838</td><td class="ca">InChI=1S/C20H35NO15/c1-6-11(27)13(29)15(31)19(33-6)35-17(8(3-22)21-7(2)25)18(9(26)4-23)36-20-16(32)14(30)12(28)10(5-24)34-20/h3,6,8-20,23-24,26-32H,4-5H2,1-2H3,(H,21,25)/t6-,8-,9+,10+,11+,12-,13+,14-,15-,16+,17+,18+,19-,20-/m0/s1</td><td class="ca">-2.26</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca">O-6-deoxy-a-L-galactopyranosyl-(1->2)-O-b-D-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-D-Galactose</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB02060" target="_blank" class="btn">HMDB02060</a></td><td class="ca">C20H35NO15</td><td class="ca">529.200669455</td><td class="ca">2M+ACN+H</td><td class="ca">+</td><td class="ca">1100.435162</td><td class="ca">0.014838</td><td class="ca">InChI=1S/C20H35NO15/c1-6-11(27)14(30)16(32)19(33-6)36-18-15(31)13(29)10(5-24)34-20(18)35-17(12(28)9(26)4-23)8(3-22)21-7(2)25/h3,6,8-20,23-24,26-32H,4-5H2,1-2H3,(H,21,25)/t6-,8-,9+,10+,11+,12-,13-,14+,15-,16-,17+,18+,19-,20-/m0/s1</td><td class="ca">-2.25</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca">Lewis a trisaccharide</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB06582" target="_blank" class="btn">HMDB06582</a></td><td class="ca">C20H35NO15</td><td class="ca">529.200669455</td><td class="ca">2M+ACN+H</td><td class="ca">+</td><td class="ca">1100.435162</td><td class="ca">0.014838</td><td class="ca">InChI=1S/C20H35NO15/c1-6-11(27)13(29)15(31)19(33-6)36-18(9(26)4-23)17(8(3-22)21-7(2)25)35-20-16(32)14(30)12(28)10(5-24)34-20/h3,6,8-20,23-24,26-32H,4-5H2,1-2H3,(H,21,25)/t6-,8-,9+,10+,11+,12-,13+,14-,15-,16+,17+,18+,19-,20-/m0/s1</td><td class="ca">-2.27</td></tr></tbody></table></div><div class="container"><hr><footer><div class="row">  <div class="col-lg-12"><p>Copyright &copy; INRA, N Paulhe, F Giacomoni 2014 </p>  </div> </div> </footer></div><script language="javascript">$(function() {$('#choose').pagination({items: 2,itemsOnPage: 1,currentPage: 1,onInit: function () { test(1); },cssStyle: 'light-theme',onPageClick: function(pageNumber){test(pageNumber)}}).pagination('redraw');});</script></body></html>
\ No newline at end of file
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/out_test03.tabular	Wed Nov 23 09:31:50 2016 -0500
@@ -0,0 +1,31 @@
+ID	Query(Da)	Delta	Metabolite_Name	Cpd_MW(Da)	Formula	Adduct	Adduct_MW(Da)	HMDB_ID
+mz_00001	175.01	0.000125	[Hydroxidodioxidosulfidosulfate]	113.94453531	H2O3S2	[M+IsoProp+H]	175.009875	HMDB60293
+mz_00001	175.01	0.000676	[Mesna]	141.975835438	C2H6O3S2	[M+CH3OH+H]	175.009324	HMDB03745
+mz_00001	175.01	0.000895	[Silicic acid]	95.987885149	H4O4Si	[M+DMSO+H]	175.009105	HMDB31436
+mz_00001	175.01	0.000914	[De-O-methylsterigmatocystin]	310.047738052	C17H10O6	[M+H+K]	175.009086	HMDB33657
+mz_00001	175.01	0.000914	[Aurantricholide B]	310.047738052	C17H10O6	[M+H+K]	175.009086	HMDB35230
+mz_00002	238.19	0.000875	[Alpha-Terpineol]	154.135765198	C10H18O	[M+IsoProp+Na+H]	238.190875	HMDB04043
+mz_00002	238.19	0.000875	[(S)-alpha-Terpineol]	154.135765198	C10H18O	[M+IsoProp+Na+H]	238.190875	HMDB36086
+mz_00002	238.19	0.000875	[Eucalyptol]	154.1357652	C10H18O	[M+IsoProp+Na+H]	238.190875	HMDB04472
+mz_00002	238.19	0.000875	[Geraniol]	154.1357652	C10H18O	[M+IsoProp+Na+H]	238.190875	HMDB05812
+mz_00002	238.19	0.000875	[trans-(-)-p-Menth-1-en-3-ol]	154.135765198	C10H18O	[M+IsoProp+Na+H]	238.190875	HMDB35861
+mz_00003	420.16	0.000683	[N-Desmethyl-O-hydroxy rosiglitazone]	359.093976737	C17H17N3O4S	[M+IsoProp+H]	420.159317	HMDB60836
+mz_00003	420.16	0.000683	[N-Desmethyl-p-hydroxyrosiglitazone]	359.093976737	C17H17N3O4S	[M+IsoProp+H]	420.159317	HMDB60838
+mz_00003	420.16	0.001237	[Benzyl glycinate 4-methylbenzenesulfonate salt]	337.098393413	C16H19NO5S	[M+2ACN+H]	420.158763	HMDB33374
+mz_00003	420.16	0.001268	[Glutarylglycine]	189.063722467	C7H11NO5	[2M+ACN+H]	420.161268	HMDB00590
+mz_00003	420.16	0.001268	[N-Acetylglutamic acid]	189.063722467	C7H11NO5	[2M+ACN+H]	420.161268	HMDB01138
+mz_00004	780.32	0.001444	[Niazicinin A]	369.142366717	C17H23NO8	[2M+ACN+H]	780.318556	HMDB31947
+mz_00004	780.32	0.005702	[Mulberrofuran T]	716.298533006	C44H44O9	[M+ACN+Na]	780.314298	HMDB35940
+mz_00004	780.32	0.007526	[2'-Hydroxy-3',4',5',7,8-pentamethoxyflavan]	376.152203122	C20H24O7	[2M+3H2O+2H]	780.327526	HMDB33906
+mz_00004	780.32	0.007526	[trans-Grandmarin isovalerate]	376.152203122	C20H24O7	[2M+3H2O+2H]	780.327526	HMDB39032
+mz_00004	780.32	0.007526	[(1E,4Z,6a,8b,10a)-8-Angeloyloxy-10,15-dihydroxy-3-oxo-1,4,11(13)-germacratrien-12,6-olide]	376.152203122	C20H24O7	[2M+3H2O+2H]	780.327526	HMDB32731
+mz_00005	956.25	0.005681	[Pelargonidin 3-O-[b-D-Glucopyranosyl-(1->2)-[4-hydroxy-3-methoxy-(E)-cinnamoyl-(->6)]-b-D-glucopyranoside] 5-O-b-D-glucopyranoside]	933.266462874	C43H49O23	[M+Na]	956.255681	HMDB35451
+mz_00005	956.25	0.005681	[Petanin]	933.266462874	C43H49O23	[M+Na]	956.255681	HMDB38095
+mz_00005	956.25	0.008359	[Kaempferide 3-rhamnoside]	446.121296924	C22H22O10	[2M+ACN+Na]	956.258359	HMDB40803
+mz_00005	956.25	0.008359	[Glycitin]	446.121296924	C22H22O10	[2M+ACN+Na]	956.258359	HMDB02219
+mz_00005	956.25	0.008359	[Calycosin 7-galactoside]	446.121296924	C22H22O10	[2M+ACN+Na]	956.258359	HMDB38821
+mz_00006	1100.45	0.001166	[NPC]	518.216534712	C28H30N4O6	[2M+ACN+Na]	1100.448834	HMDB60499
+mz_00006	1100.45	0.004946	[Cellulose triacetate]	536.210967144	C30H34Cl2N4O	[2M+3H2O+2H]	1100.445054	HMDB32198
+mz_00006	1100.45	0.014838	[Lewis X trisaccharide]	529.200669455	C20H35NO15	[2M+ACN+H]	1100.435162	HMDB06568
+mz_00006	1100.45	0.014838	[O-6-deoxy-a-L-galactopyranosyl-(1->2)-O-b-D-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-D-Galactose]	529.200669455	C20H35NO15	[2M+ACN+H]	1100.435162	HMDB02060
+mz_00006	1100.45	0.014838	[Lewis a trisaccharide]	529.200669455	C20H35NO15	[2M+ACN+H]	1100.435162	HMDB06582
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/out_test03.xlsx	Wed Nov 23 09:31:50 2016 -0500
@@ -0,0 +1,31 @@
+ID	Query(Da)	Delta	Metabolite_Name	Cpd_MW(Da)	Formula	Adduct	Adduct_MW(Da)	HMDB_ID
+mz_00001	175.01	0.000125	[Hydroxidodioxidosulfidosulfate]	113.94453531	H2O3S2	[M+IsoProp+H]	175.009875	HMDB60293
+mz_00001	175.01	0.000676	[Mesna]	141.975835438	C2H6O3S2	[M+CH3OH+H]	175.009324	HMDB03745
+mz_00001	175.01	0.000895	[Silicic acid]	95.987885149	H4O4Si	[M+DMSO+H]	175.009105	HMDB31436
+mz_00001	175.01	0.000914	[De-O-methylsterigmatocystin]	310.047738052	C17H10O6	[M+H+K]	175.009086	HMDB33657
+mz_00001	175.01	0.000914	[Aurantricholide B]	310.047738052	C17H10O6	[M+H+K]	175.009086	HMDB35230
+mz_00002	238.19	0.000875	[Alpha-Terpineol]	154.135765198	C10H18O	[M+IsoProp+Na+H]	238.190875	HMDB04043
+mz_00002	238.19	0.000875	[(S)-alpha-Terpineol]	154.135765198	C10H18O	[M+IsoProp+Na+H]	238.190875	HMDB36086
+mz_00002	238.19	0.000875	[Eucalyptol]	154.1357652	C10H18O	[M+IsoProp+Na+H]	238.190875	HMDB04472
+mz_00002	238.19	0.000875	[Geraniol]	154.1357652	C10H18O	[M+IsoProp+Na+H]	238.190875	HMDB05812
+mz_00002	238.19	0.000875	[trans-(-)-p-Menth-1-en-3-ol]	154.135765198	C10H18O	[M+IsoProp+Na+H]	238.190875	HMDB35861
+mz_00003	420.16	0.000683	[N-Desmethyl-O-hydroxy rosiglitazone]	359.093976737	C17H17N3O4S	[M+IsoProp+H]	420.159317	HMDB60836
+mz_00003	420.16	0.000683	[N-Desmethyl-p-hydroxyrosiglitazone]	359.093976737	C17H17N3O4S	[M+IsoProp+H]	420.159317	HMDB60838
+mz_00003	420.16	0.001237	[Benzyl glycinate 4-methylbenzenesulfonate salt]	337.098393413	C16H19NO5S	[M+2ACN+H]	420.158763	HMDB33374
+mz_00003	420.16	0.001268	[Glutarylglycine]	189.063722467	C7H11NO5	[2M+ACN+H]	420.161268	HMDB00590
+mz_00003	420.16	0.001268	[N-Acetylglutamic acid]	189.063722467	C7H11NO5	[2M+ACN+H]	420.161268	HMDB01138
+mz_00004	780.32	0.001444	[Niazicinin A]	369.142366717	C17H23NO8	[2M+ACN+H]	780.318556	HMDB31947
+mz_00004	780.32	0.005702	[Mulberrofuran T]	716.298533006	C44H44O9	[M+ACN+Na]	780.314298	HMDB35940
+mz_00004	780.32	0.007526	[2'-Hydroxy-3',4',5',7,8-pentamethoxyflavan]	376.152203122	C20H24O7	[2M+3H2O+2H]	780.327526	HMDB33906
+mz_00004	780.32	0.007526	[trans-Grandmarin isovalerate]	376.152203122	C20H24O7	[2M+3H2O+2H]	780.327526	HMDB39032
+mz_00004	780.32	0.007526	[(1E,4Z,6a,8b,10a)-8-Angeloyloxy-10,15-dihydroxy-3-oxo-1,4,11(13)-germacratrien-12,6-olide]	376.152203122	C20H24O7	[2M+3H2O+2H]	780.327526	HMDB32731
+mz_00005	956.25	0.005681	[Pelargonidin 3-O-[b-D-Glucopyranosyl-(1->2)-[4-hydroxy-3-methoxy-(E)-cinnamoyl-(->6)]-b-D-glucopyranoside] 5-O-b-D-glucopyranoside]	933.266462874	C43H49O23	[M+Na]	956.255681	HMDB35451
+mz_00005	956.25	0.005681	[Petanin]	933.266462874	C43H49O23	[M+Na]	956.255681	HMDB38095
+mz_00005	956.25	0.008359	[Kaempferide 3-rhamnoside]	446.121296924	C22H22O10	[2M+ACN+Na]	956.258359	HMDB40803
+mz_00005	956.25	0.008359	[Glycitin]	446.121296924	C22H22O10	[2M+ACN+Na]	956.258359	HMDB02219
+mz_00005	956.25	0.008359	[Calycosin 7-galactoside]	446.121296924	C22H22O10	[2M+ACN+Na]	956.258359	HMDB38821
+mz_00006	1100.45	0.001166	[NPC]	518.216534712	C28H30N4O6	[2M+ACN+Na]	1100.448834	HMDB60499
+mz_00006	1100.45	0.004946	[Cellulose triacetate]	536.210967144	C30H34Cl2N4O	[2M+3H2O+2H]	1100.445054	HMDB32198
+mz_00006	1100.45	0.014838	[Lewis X trisaccharide]	529.200669455	C20H35NO15	[2M+ACN+H]	1100.435162	HMDB06568
+mz_00006	1100.45	0.014838	[O-6-deoxy-a-L-galactopyranosyl-(1->2)-O-b-D-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-D-Galactose]	529.200669455	C20H35NO15	[2M+ACN+H]	1100.435162	HMDB02060
+mz_00006	1100.45	0.014838	[Lewis a trisaccharide]	529.200669455	C20H35NO15	[2M+ACN+H]	1100.435162	HMDB06582
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/wsdl_hmdb.pl	Wed Nov 23 09:31:50 2016 -0500
@@ -0,0 +1,287 @@
+#!perl
+
+## script  : wsdl_hmdb.pl
+#=============================================================================
+#                              Included modules and versions
+#=============================================================================
+## Perl modules
+use strict ;
+use warnings ;
+use Carp qw (cluck croak carp) ;
+
+use Data::Dumper ;
+use Getopt::Long ;
+use POSIX ;
+use FindBin ; ## Permet de localisez le repertoire du script perl d'origine
+
+## Specific Modules (Home made...)
+use lib $FindBin::Bin ;
+my $binPath = $FindBin::Bin ;
+use lib::hmdb qw( :ALL ) ;
+## PFEM Perl Modules
+use lib::conf  qw( :ALL ) ;
+use lib::csv  qw( :ALL ) ;
+
+## Initialized values
+my ( $help ) = undef ;
+my ( $mass ) = undef ;
+my ( $masses_file, $col_id, $col_mass, $header_choice, $nbline_header ) = ( undef, undef, undef, undef, undef ) ;
+my $max_query = undef ;
+my ( $delta, $molecular_species, $out_tab, $out_html, $out_xls ) = ( undef, undef, undef, undef, undef ) ;
+
+
+#=============================================================================
+#                                Manage EXCEPTIONS
+#=============================================================================
+
+&GetOptions ( 	"h"					=> \$help,				# HELP
+				"mass:s"			=> \$mass,				## option : one masse
+				"masses:s"			=> \$masses_file,		## option : path to the input
+				"header_choice:s"	=> \$header_choice,		## Presence or not of header in tabular file
+				"nblineheader:i"	=> \$nbline_header,		## numbre of header line present in file
+				"colfactor:i"		=> \$col_mass,			## Column id for retrieve formula list in tabular file
+				"delta:f"			=> \$delta,
+				"mode:s"			=> \$molecular_species,	## Molecular species (positive/negative/neutral)
+				"maxquery:i"		=> \$max_query, 		## Maximum query return (default is 20 entries by query // min 1 & max 50 )
+				"output_tabular:s"	=> \$out_tab,			## option : path to the ouput (tabular : input+results )
+				"output_html|v:s"	=> \$out_html,			## option : path to the results view (output2)
+				"output_xlsx:s"		=> \$out_xls,			## option : path to the xls-like format output
+            ) ;
+
+#=============================================================================
+#                                EXCEPTIONS
+#=============================================================================
+$help and &help ;
+
+#=============================================================================
+#                                MAIN SCRIPT
+#=============================================================================
+
+
+## -------------- Conf file ------------------------ :
+my ( $CONF ) = ( undef ) ;
+foreach my $conf ( <$binPath/*.cfg> ) {
+	my $oConf = lib::conf::new() ;
+	$CONF = $oConf->as_conf($conf) ;
+}
+
+## -------------- HTML template file ------------------------ :
+foreach my $html_template ( <$binPath/*.tmpl> ) { $CONF->{'HTML_TEMPLATE'} = $html_template ; }
+
+if (!defined $max_query) {
+	$max_query = $CONF->{'HMDB_MAX_QUERY'} ;
+}
+
+
+## --------------- Global parameters ---------------- :
+my ( $ids, $masses, $results ) = ( undef, undef, undef ) ;
+my ( $complete_rows, $nb_pages_for_html_out ) = ( undef, 1 ) ;
+my $metabocard_features = undef ;
+my $search_condition = "Search params : Molecular specie = $molecular_species / delta (mass-to-charge ratio) = $delta" ;
+
+## --------------- retrieve input data -------------- :
+
+## manage only one mass
+if ( ( defined $mass ) and ( $mass ne '' ) ) {
+	my @masses = split(" ", $mass);
+	$masses = \@masses ;
+	for (my $i=1 ; $i<=$#masses+1 ; $i++){ push (@$ids,"mz_0".sprintf("%04s", $i ) ); }
+} ## END IF
+## manage csv file containing list of masses
+elsif ( ( defined $masses_file ) and ( $masses_file ne "" ) and ( -e $masses_file ) ) {
+	## parse all csv for later : output csv build
+	my $ocsv_input  = lib::csv->new() ;
+	my $complete_csv = $ocsv_input->get_csv_object( "\t" ) ;
+	$complete_rows = $ocsv_input->parse_csv_object($complete_csv, \$masses_file) ;
+
+	## parse masses and set ids
+	my $ocsv = lib::csv->new() ;
+	my $csv = $ocsv->get_csv_object( "\t" ) ;
+	if ( ( !defined $nbline_header ) or ( $nbline_header < 0 ) ) { $nbline_header = 0 ;	}
+	$masses = $ocsv->get_value_from_csv_multi_header( $csv, $masses_file, $col_mass, $header_choice, $nbline_header ) ; ## retrieve mz values on csv
+	my $nbmz = @$masses ;
+	for (my $i=1 ; $i<=$nbmz+1 ; $i++){ 	push (@$ids,"mz_0".sprintf("%04s", $i ) ); }
+}
+else {
+	warn "[warning] Input data are missing : none mass or file of masses\n" ;
+	&help ;
+}
+#print Dumper $masses ;
+## ---------------- launch queries -------------------- :
+
+if ( ( defined $delta ) and ( $delta > 0 ) and ( defined $molecular_species ) and ( $molecular_species ne '' ) ) {
+	## prepare masses list and execute query
+	my $oHmdb = lib::hmdb::new() ;
+	my $hmdb_pages = undef ;
+	my $hmdb_ids = undef ;
+
+	$results = [] ; # prepare arrays ref
+	my $submasses = $oHmdb->extract_sub_mz_lists($masses, $CONF->{HMDB_LIMITS} ) ;
+
+	## get the hmdb server status by a test query - continuous queries or kill script.
+	my $status = $oHmdb->test_matches_from_hmdb_ua() ;
+	$oHmdb->check_state_from_hmdb_ua($status) ; ## can kill the script execution
+
+	foreach my $mzs ( @{$submasses} ) {
+
+		my $result = undef ;
+		my ( $hmdb_masses, $nb_masses_to_submit ) = $oHmdb->prepare_multi_masses_query($mzs) ;
+		$hmdb_pages = $oHmdb->get_matches_from_hmdb_ua($hmdb_masses, $delta, $molecular_species) ;
+		($result) = $oHmdb->parse_hmdb_csv_results($hmdb_pages, $mzs, $max_query) ; ## hash format result
+		## This previous step return results with cutoff on the number of entries returned !
+		$results = [ @$results, @$result ] ;
+	}
+
+	## foreach metabolite get its own metabocard
+	$hmdb_ids = $oHmdb->get_unik_ids_from_results($results) ;
+#	$hmdb_ids->{'HMDB03125'} = 1 ,
+	$metabocard_features = $oHmdb->get_hmdb_metabocard_from_id($hmdb_ids, $CONF->{'HMDB_METABOCARD_URL'}) ; ## Try to multithread the querying
+
+	## Map metabocards with results (add supplementary data)
+
+#	print Dumper $results ;
+#	print Dumper $hmdb_ids ;
+#	print Dumper $metabocard_features ;
+
+	if ( ( defined $results ) and ( defined $metabocard_features ) ) {
+		$results = $oHmdb->map_suppl_data_on_hmdb_results($results, $metabocard_features) ;
+	}
+
+	## Uses N mz and theirs entries per page (see config file).
+	# how many pages you need with your input mz list?
+	$nb_pages_for_html_out = ceil( scalar(@{$masses} ) / $CONF->{HTML_ENTRIES_PER_PAGE} )  ;
+
+#	print Dumper $results ;
+}
+else {
+	croak "Can't work with HMDB : missing paramaters (list of masses, delta or molecular species)\n" ;
+} ## end ELSE
+
+## -------------- Produce HTML/CSV output ------------------ :
+
+if ( ( defined $out_html ) and ( defined $results ) ) {
+	my $oHtml = lib::hmdb::new() ;
+	my ($tbody_object) = $oHtml->set_html_tbody_object( $nb_pages_for_html_out, $CONF->{HTML_ENTRIES_PER_PAGE} ) ;
+	($tbody_object) = $oHtml->add_mz_to_tbody_object($tbody_object, $CONF->{HTML_ENTRIES_PER_PAGE}, $masses, $ids) ;
+	($tbody_object) = $oHtml->add_entries_to_tbody_object($tbody_object, $CONF->{HTML_ENTRIES_PER_PAGE}, $masses, $results) ;
+	my $output_html = $oHtml->write_html_skel(\$out_html, $tbody_object, $nb_pages_for_html_out, $search_condition, $CONF->{'HTML_TEMPLATE'}, $CONF->{'JS_GALAXY_PATH'}, $CONF->{'CSS_GALAXY_PATH'}) ;
+
+} ## END IF
+else {
+	warn "Can't create a HTML output for HMDB : no result found or your output file is not defined\n" ;
+}
+
+if ( ( defined $out_tab ) and ( defined $results ) ) {
+	# produce a csv based on METLIN format
+	my $ocsv = lib::hmdb::new() ;
+	if (defined $masses_file) {
+		my $lm_matrix = undef ;
+		if ( ( defined $nbline_header ) and ( $header_choice eq 'yes' ) ) {
+#			$lm_matrix = $ocsv->set_lm_matrix_object('hmdb', $masses, $results ) ;
+			$lm_matrix = $ocsv->set_hmdb_matrix_object_with_ids('hmdb', $masses, $results ) ;
+			$lm_matrix = $ocsv->add_lm_matrix_to_input_matrix($complete_rows, $lm_matrix, $nbline_header-1) ;
+		}
+		elsif ( ( $header_choice eq 'no' ) ) {
+#			$lm_matrix = $ocsv->set_lm_matrix_object(undef, $masses, $results ) ;
+			$lm_matrix = $ocsv->set_hmdb_matrix_object_with_ids(undef, $masses, $results ) ;
+			$lm_matrix = $ocsv->add_lm_matrix_to_input_matrix($complete_rows, $lm_matrix, 0) ;
+		}
+		$ocsv->write_csv_skel(\$out_tab, $lm_matrix) ;
+	}
+	elsif (defined $mass) {
+		$ocsv->write_csv_one_mass($masses, $ids, $results, $out_tab) ;
+	}
+} ## END IF
+else {
+	warn "Can't create a tabular output for HMDB : no result found or your output file is not defined\n" ;
+}
+
+## Write XLS like format
+if ( ( defined $out_xls ) and ( defined $results ) ) {
+	my $ocsv = lib::hmdb::new() ;
+	$ocsv->write_csv_one_mass($masses, $ids, $results, $out_xls) ;
+}
+
+
+#====================================================================================
+# Help subroutine called with -h option
+# number of arguments : 0
+# Argument(s)        :
+# Return           : 1
+#====================================================================================
+sub help {
+	print STDERR "
+help of wsdl_hmdb
+
+# wsdl_hmdb is a script to query HMDB website using mz and return a list of candidates sent by HMDB based on the ms search tool.
+# Input : formula or list of formula
+# Author : Franck Giacomoni and Marion Landi
+# Email : fgiacomoni\@clermont.inra.fr
+# Version : 1.4
+# Created : 08/07/2012
+# Updated : 21/01/2016
+USAGE :
+		wsdl_hmdb.pl 	-mass [one mass or a string list of exact masses] -delta [mz delta] -mode [molecular species: positive|negative|neutral] -output [output tabular file] -view [output html file]
+
+		or
+		wsdl_hmdb.pl 	-masses [an input file of mzs] -colfactor [col of mz] -header_choice [yes|no] -nblineheader [nb of lines containing file header : 0-n]
+						-delta [mz delta] -mode [molecular species: positive|negative|neutral] -output [output tabular file] -view [output html file]
+
+		or
+		wsdl_hmdb.pl 	-h for help
+
+		";
+	exit(1);
+}
+
+## END of script - F Giacomoni
+
+__END__
+
+=head1 NAME
+
+ wsdl_hmdb.pl -- script to query HMDB website using mz and return a list of candidates sent by HMDB based on the ms search tool.
+
+=head1 USAGE
+
+	wsdl_hmdb.pl 	-mass [one mass or a string list of exact masses] -delta [mz delta] -mode [molecular species: positive|negative|neutral] -output [output tabular file] -view [output html file]
+
+	or
+	wsdl_hmdb.pl 	-masses [an input file of mzs] -colfactor [col of mz] -header_choice [yes|no] -nblineheader [nb of lines containing file header : 0-n]
+					-delta [mz delta] -mode [molecular species: positive|negative|neutral] -output [output tabular file] -view [output html file]
+
+=head1 SYNOPSIS
+
+This script manages batch queries on HMDB server.
+
+=head1 DESCRIPTION
+
+This main program is a script to query HMDB website using mz and return a list of candidates sent by HMDB based on the ms search tool.
+
+=over 4
+
+=item B<function01>
+
+=item B<function02>
+
+=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 1.0 : 06 / 06 / 2013
+
+version 1.2 : 27 / 01 / 2014
+
+version 1.3 : 19 / 11 / 2014
+
+version 1.4 : 21 / 01 / 2016 - a clean version for community
+
+=cut
\ No newline at end of file
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/wsdl_hmdb.xml	Wed Nov 23 09:31:50 2016 -0500
@@ -0,0 +1,279 @@
+<tool id="wsdl_hmdb" name="HMDB MS search" version="2016-11-28">
+  <description>
+        search by masses on HMDB online bank
+  </description>
+
+  <requirements>
+  <!-- Waiting for conda improvement in Galaxy
+      <requirement type="package" version="1.19">perl-soap-lite</requirement>
+      <requirement type="package" version="6.15">perl-lwp-simple</requirement>
+	  <requirement type="package" version="6.15">perl-libwww-perl</requirement>
+      <requirement type="package" version="2.95">perl-html-template</requirement>
+      <requirement type="package" version="1.71">perl-uri</requirement>
+      <requirement type="package" version="1.33">perl-text-csv</requirement>
+      <requirement type="package" version="3.49">perl-xml-twig</requirement>
+  -->
+  </requirements>
+
+  <stdio>
+      <exit_code range="1" level="fatal" />
+  </stdio>
+
+
+  <command><![CDATA[
+        perl $__tool_directory__/wsdl_hmdb.pl
+        #if str($input_type.choice) == "YES":
+            -masses "${input_type.masses}"
+            -header_choice "${input_type.header.header_choice}"
+            #if str($input_type.header.header_choice) == "yes":
+                -nblineheader "${$input_type.header.nbHeader}"
+            #end if
+            -colfactor "${input_type.colfactor}"
+            -output_tabular "$variableMetadata" -output_html "$HmdbOutWeb" -output_xls "$HmdbOutXlsx"
+        #else:
+            -mass "${input_type.mass}"
+            -output_tabular "$variableMetadata2" -output_html "$HmdbOutWeb2" -output_xls "$HmdbOutXlsx2"
+        #end if
+        -delta "$delta" -mode "$mode" -maxquery "$maxquery"
+
+  ]]></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 (Variable Metadata) " format="tabular" type="data" help="Generally variable metadata file. Please note : HMDB allows maximum 150 query masses per request" />
+        <conditional name="header">
+          <param name="header_choice" type="select" label="Do you have a header " help="if 'YES' is selected then enter your number of header lines">
+            <option value="no">NO</option>
+            <option value="yes" selected="true">YES</option>
+          </param>
+          <when value="yes">
+            <param name="nbHeader" label="Number of header lines " type="integer" value="1" min="1" size="10" help="number of lines not containing masses"/>
+          </when>
+          <when value="no"/>
+        </conditional>
+	    <param name="colfactor" label="Column of masses " type="data_column" data_ref="masses" accept_default="true" />
+      </when>
+      <when value="NO">
+        <param name="mass" label="Mass to submit " type="text" size="20" help="For a masses list, writes : m1 m2 m3. Your values must be separated by spaces. You should use dot (.) like decimal separator" />
+      </when>
+    </conditional>
+
+    <param name="delta" label="Mass-to-charge ratio " type="float" value="0.05" min="0" max="10" size="10" help="Default value is 0.05 for HMDB (mass-to-charge ratio)"/>
+    <param name="maxquery" label="Number of maximum entries returned by the query " type="integer" value="20" min="1" max="50" size="10" help="Default value is 20 for each queried mz / max is 50"/>
+    <param name="mode" label="Molecular Species " type="select" display="radio" help="">
+      <option value="positive">Positif Mode</option>
+      <option value="negative">Negatif Mode</option>
+      <option value="neutral" selected="True">Neutral Mass</option>
+    </param>
+  </inputs>
+
+  <outputs>
+    <data name="variableMetadata" format="tabular" label="${input_type.masses.name[:-6]}.HMDB.tabular">
+    	<filter>input_type['choice'] == "YES"</filter>
+   	</data>
+    <data name="HmdbOutWeb" format="html" label="${input_type.masses.name[:-6]}.HMDB_WEB.html">
+    	<filter>input_type['choice'] == "YES"</filter>
+   	</data>
+    <data name="HmdbOutXlsx" label="${input_type.masses.name[:-6]}.HMDB.xlsx" format="tabular">
+    	<filter>input_type['choice'] == "YES"</filter>
+   	</data>
+    <data name="variableMetadata2" format="tabular" label="HMDB.tabular">
+    	<filter>input_type['choice'] == "NO"</filter>
+   	</data>
+    <data name="HmdbOutWeb2" format="html" label="HMDB_WEB.html">
+    	<filter>input_type['choice'] == "NO"</filter>
+   	</data>
+    <data name="HmdbOutXlsx2" label="HMDB.xlsx" format="tabular">
+    	<filter>input_type['choice'] == "NO"</filter>
+   	</data>
+  </outputs>
+
+  <tests>
+  	<test>
+  		<!--test 01 no result - fake-mzrt-input-with-id -->
+  		<param name="choice" value="YES"/>
+  		<param name="masses" value="input_test01_fake-mzrt-input-with-id.tabular"/>
+  		<param name="header_choice" value="yes"/>
+  		<param name="nblineheader" value="1"/>
+  		<param name="colfactor" value="2"/>
+  		<param name="delta" value="0.001"/>
+  		<param name="mode" value="neutral"/>
+  		<param name="maxquery" value="5"/>
+  		<output name="variableMetadata" file="out_test01.tabular"/>
+  		<output name="HmdbOutWeb" file="out_test01.html"/>
+  		<output name="HmdbOutXlsx" file="out_test01.xlsx"/>
+  	</test>
+  	<test>
+  		<!--test 02 : some results - with-mzrt-input-with-id file-->
+  		<param name="choice" value="YES"/>
+  		<param name="masses" value="input_test02_mzrt-input-with-id.tabular"/>
+  		<param name="header_choice" value="yes"/>
+  		<param name="nblineheader" value="1"/>
+  		<param name="colfactor" value="2"/>
+  		<param name="delta" value="0.001"/>
+  		<param name="mode" value="positive"/>
+  		<param name="maxquery" value="5"/>
+  		<output name="variableMetadata" file="out_test02.tabular"/>
+  		<output name="HmdbOutWeb" file="out_test02.html"/>
+  		<output name="HmdbOutXlsx" file="out_test02.xlsx"/>
+  	</test>
+  	<test>
+  		<!--test 03 : some results - with-mz list in manual mass mode-->
+  		<param name="choice" value="NO"/>
+  		<param name="mass" value="175.01 238.19 420.16 780.32 956.25 1100.45"/>
+  		<param name="delta" value="0.05"/>
+  		<param name="mode" value="positive"/>
+  		<param name="maxquery" value="5"/>
+  		<output name="variableMetadata2" file="out_test03.tabular"/>
+  		<output name="HmdbOutWeb2" file="out_test03.html"/>
+  		<output name="HmdbOutXlsx2" file="out_test03.xlsx"/>
+  	</test>
+  </tests>
+
+  <help><![CDATA[
+
+.. class:: infomark
+
+**Authors** Marion Landi and Franck Giacomoni
+
+---------------------------------------------------
+
+.. class:: infomark
+
+**Please cite** If you use this tool, please add the following reference
+  | Wishart DS, Jewison T, Guo AC, Wilson M, Knox C, et al., HMDB 3.0 — The Human Metabolome Database in 2013. Nucleic Acids Res. 2013.
+
+
+---------------------------------------------------
+
+==============
+HMDB MS search
+==============
+
+-----------
+Description
+-----------
+
+ | Search informations (like : HMDB id,  Name, Adduct, delta mass) on HMDB online bank
+ | with one or more mass(es) in a file or entered manually
+
+
+-----------------
+Workflow position
+-----------------
+
+
+.. image:: ./static/images/metabolomics/hmdb.png
+        :width: 800
+
+
+-----------
+Input files
+-----------
+
+
++-------------------------+-----------+
+| Parameter : num + label |  Format   |
++=========================+===========+
+| 1 : File of masses      |  tabular  |
++-------------------------+-----------+
+
+File of masses (Generally variable metadata file) must have at least the following column :
+	* Masses : column with all the masses in the tsv input file
+
+----------
+Parameters
+----------
+
+Would you use a file
+	| Choose whether the masses are in a file or entered manually
+	| YES (default) : parameters **File of masses ; Do you have a header ; Column of masses** are visible
+	| NO : parameter **Mass to submit** is visible
+	|
+
+
+If 'use file'='YES'
+
+File of masses
+	| see "Input files" section above
+	| Tabular file format, Generally variable metadata file
+	|
+
+Do you have a header
+	| YES (default) : parameter **Number of header lines** is visible
+	| NO : all lines are considered to contain masses
+	|
+
+If 'have a header'='YES'
+
+Number of header lines
+	| Number of lines not containing masses values, these lines will be ignored
+	|
+
+In all header cases :
+
+Column of masses
+	| Specify the column number for the mass in the tsv input file
+	|
+
+
+If 'use file'='NO'
+
+Mass to submit
+	| Specify a list of mass to request
+	| one or more mass(es) entered manually
+	| For a masses list, writes : m1 m2 m3
+	| You must separate yours values with space
+	| dot (.) is for float number
+	|
+
+In all cases :
+
+Mass-to-charge ratio
+	| Specify a delta (mass-to-charge ratio) to apply on mass - This value is a float, between 0.0000000000000001 and 10.
+	|
+
+Molecular Species
+	| Type of ionization of the molecule : *positif, negatif, neutral*
+	|
+
+
+------------
+Output files
+------------
+
+Two types of files
+	| HMDB_WEB.HTML: for viewing result via HTML.
+	|
+	| HMDB_TABULAR.tabular: for linking with others modules.
+	|
+	| HMDB_XLSX.xlsx: an excel-like output permitting manual annotation cleaning.
+	|
+
+---------------------------------------------------
+
+
+---------------
+Working example
+---------------
+
+
+.. class:: warningmark
+
+Refer to the corresponding W4M HowTo section: http://workflow4metabolomics.org/howto
+ | Format Data For Postprocessing
+ | Perform LCMS Annotations
+
+.. class:: warningmark
+
+And their "W4M courses 2015":
+ | Using Galaxy4Metabolomics - W4M table format for Galaxy
+ | Annotation Banks - Annotation
+
+
+	]]></help>
+</tool>
\ No newline at end of file