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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 (ppm)</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">Phenol sulphate</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB0060015" target="_blank" class="btn">HMDB0060015</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">23</td><td class="ca">NONEDATA</td><td class="ca">NONEDATA</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca">trans-Aconitic acid</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB0000958" target="_blank" class="btn">HMDB0000958</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">78</td><td class="ca">NONEDATA</td><td class="ca">NONEDATA</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca">cis-Aconitic acid</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB0000072" target="_blank" class="btn">HMDB0000072</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">78</td><td class="ca">NONEDATA</td><td class="ca">NONEDATA</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca">Dehydroascorbic acid</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB0001264" target="_blank" class="btn">HMDB0001264</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">78</td><td class="ca">NONEDATA</td><td class="ca">NONEDATA</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca">dehydroascorbide(1-)</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB0062706" target="_blank" class="btn">HMDB0062706</a></td><td class="ca">C6H6O6</td><td class="ca">174.016437913</td><td class="ca">M+H</td><td class="ca">+</td><td class="ca">175.023714</td><td class="ca">78</td><td class="ca">NONEDATA</td><td class="ca">NONEDATA</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">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" >420.16</td><td class="ca" colspan="10"></td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca">Fenvalerate</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB0031791" target="_blank" class="btn">HMDB0031791</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">57</td><td class="ca">NONEDATA</td><td class="ca">NONEDATA</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">3'-Sialyl-3-fucosyllactose</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB0006606" target="_blank" class="btn">HMDB0006606</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">55</td><td class="ca">NONEDATA</td><td class="ca">NONEDATA</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">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" >1100.45</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> 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 (ppm)</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">Trinitrosotrimethylenetriamine</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB0259249" target="_blank" class="btn">HMDB0259249</a></td><td class="ca">C3H6N6O3</td><td class="ca">174.050138077</td><td class="ca">M+H</td><td class="ca">+</td><td class="ca">175.057414</td><td class="ca">271</td><td class="ca">NONEDATA</td><td class="ca">NONEDATA</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca">"Naphthalene-1,2,4-trione"</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB0257698" target="_blank" class="btn">HMDB0257698</a></td><td class="ca">C10H6O3</td><td class="ca">174.031694053</td><td class="ca">M+H</td><td class="ca">+</td><td class="ca">175.03897</td><td class="ca">166</td><td class="ca">NONEDATA</td><td class="ca">NONEDATA</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca">Phenyl phosphonothioate</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB0256424" target="_blank" class="btn">HMDB0256424</a></td><td class="ca">C6H7O2PS</td><td class="ca">173.990437637</td><td class="ca">M+H</td><td class="ca">+</td><td class="ca">174.997714</td><td class="ca">70</td><td class="ca">NONEDATA</td><td class="ca">NONEDATA</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca">p-TOLUENESULFONYL FLUORIDE</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB0256057" target="_blank" class="btn">HMDB0256057</a></td><td class="ca">C7H7FO2S</td><td class="ca">174.015078802</td><td class="ca">M+H</td><td class="ca">+</td><td class="ca">175.022355</td><td class="ca">71</td><td class="ca">NONEDATA</td><td class="ca">NONEDATA</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca">Aconitic acid</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB0247961" target="_blank" class="btn">HMDB0247961</a></td><td class="ca">C6H6O6</td><td class="ca">174.016437913</td><td class="ca">M+H</td><td class="ca">+</td><td class="ca">175.023714</td><td class="ca">78</td><td class="ca">NONEDATA</td><td class="ca">NONEDATA</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">"N,N-di-n-propyldopamine"</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB0255249" target="_blank" class="btn">HMDB0255249</a></td><td class="ca">C14H23NO2</td><td class="ca">237.172878985</td><td class="ca">M+H</td><td class="ca">+</td><td class="ca">238.180155</td><td class="ca">41</td><td class="ca">NONEDATA</td><td class="ca">NONEDATA</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca">Ethoxybenzyl diethylenetriamine</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB0252022" target="_blank" class="btn">HMDB0252022</a></td><td class="ca">C13H23N3O</td><td class="ca">237.184112373</td><td class="ca">M+H</td><td class="ca">+</td><td class="ca">238.191388</td><td class="ca">6</td><td class="ca">NONEDATA</td><td class="ca">NONEDATA</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca">Deacetylmoxisylyte</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB0250903" target="_blank" class="btn">HMDB0250903</a></td><td class="ca">C14H23NO2</td><td class="ca">237.172878985</td><td class="ca">M+H</td><td class="ca">+</td><td class="ca">238.180155</td><td class="ca">41</td><td class="ca">NONEDATA</td><td class="ca">NONEDATA</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca">viloxazine</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB0259807" target="_blank" class="btn">HMDB0259807</a></td><td class="ca">C13H19NO3</td><td class="ca">237.136493476</td><td class="ca">M+H</td><td class="ca">+</td><td class="ca">238.143769</td><td class="ca">194</td><td class="ca">NONEDATA</td><td class="ca">NONEDATA</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">Cligosiban</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB0256366" target="_blank" class="btn">HMDB0256366</a></td><td class="ca">C19H19ClFN5O3</td><td class="ca">419.1160454</td><td class="ca">M+H</td><td class="ca">+</td><td class="ca">420.123321</td><td class="ca">87</td><td class="ca">NONEDATA</td><td class="ca">NONEDATA</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca">Perphenazine sulfoxide</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB0256352" target="_blank" class="btn">HMDB0256352</a></td><td class="ca">C21H26ClN3O2S</td><td class="ca">419.143426</td><td class="ca">M+H</td><td class="ca">+</td><td class="ca">420.150702</td><td class="ca">22</td><td class="ca">NONEDATA</td><td class="ca">NONEDATA</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca">"Glycine, L-gamma-glutamyl-2-(1-methyl-4-(nitrosothio)-4-piperidinyl)glycyl-"</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB0253933" target="_blank" class="btn">HMDB0253933</a></td><td class="ca">C15H25N5O7S</td><td class="ca">419.147469339</td><td class="ca">M+H</td><td class="ca">+</td><td class="ca">420.154745</td><td class="ca">13</td><td class="ca">NONEDATA</td><td class="ca">NONEDATA</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca">Dolutegravir</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB0251580" target="_blank" class="btn">HMDB0251580</a></td><td class="ca">C20H19F2N3O5</td><td class="ca">419.12927705</td><td class="ca">M+H</td><td class="ca">+</td><td class="ca">420.136553</td><td class="ca">56</td><td class="ca">NONEDATA</td><td class="ca">NONEDATA</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca">Acorafloxacin</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB0247964" target="_blank" class="btn">HMDB0247964</a></td><td class="ca">C21H23F2N3O4</td><td class="ca">419.165662559</td><td class="ca">M+H</td><td class="ca">+</td><td class="ca">420.172939</td><td class="ca">31</td><td class="ca">NONEDATA</td><td class="ca">NONEDATA</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">Ravtansine</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB0247402" target="_blank" class="btn">HMDB0247402</a></td><td class="ca">C38H54ClN3O10S</td><td class="ca">779.3218438</td><td class="ca">M+H</td><td class="ca">+</td><td class="ca">780.32912</td><td class="ca">12</td><td class="ca">NONEDATA</td><td class="ca">NONEDATA</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca">3'-Sialyl-3-fucosyllactose</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB0006606" target="_blank" class="btn">HMDB0006606</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">55</td><td class="ca">NONEDATA</td><td class="ca">NONEDATA</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">jasmonoyl-CoA</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB0304397" target="_blank" class="btn">HMDB0304397</a></td><td class="ca">C33H48N7O18P3S</td><td class="ca">955.201134221</td><td class="ca">M+H</td><td class="ca">+</td><td class="ca">956.20841</td><td class="ca">43</td><td class="ca">NONEDATA</td><td class="ca">NONEDATA</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">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>