Mercurial > repos > fgiacomoni > hmdb_ms_search


<?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">DL-Isocitric acid lactone</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB0341313" target="_blank" class="btn">HMDB0341313</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="white"><td class="ca" colspan="2"></td><td class="ca">Pyridin-3-yl sulfate</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB0304907" target="_blank" class="btn">HMDB0304907</a></td><td class="ca">C5H4NO4S</td><td class="ca">173.986652367</td><td class="ca">M+NH4-H2O</td><td class="ca">+</td><td class="ca">175.016628</td><td class="ca">38</td><td class="ca">NONEDATA</td><td class="ca">NONEDATA</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">Semidehydroascorbic acid</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB0258226" target="_blank" class="btn">HMDB0258226</a></td><td class="ca">C6H7O6</td><td class="ca">175.024262945</td><td class="ca">M+NH4-H2O</td><td class="ca">+</td><td class="ca">175.046963</td><td class="ca">211</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="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">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">"(2E,4E)-pentadeca-2,4-dienoic acid"</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB0340866" target="_blank" class="btn">HMDB0340866</a></td><td class="ca">C15H26O2</td><td class="ca">238.193280077</td><td class="ca">M+NH4-H2O</td><td class="ca">+</td><td class="ca">238.21598</td><td class="ca">109</td><td class="ca">NONEDATA</td><td class="ca">NONEDATA</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca">"(6Z,9Z)-pentadeca-6,9-dienoic acid"</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB0340865" target="_blank" class="btn">HMDB0340865</a></td><td class="ca">C15H26O2</td><td class="ca">238.193280077</td><td class="ca">M+NH4-H2O</td><td class="ca">+</td><td class="ca">238.21598</td><td class="ca">109</td><td class="ca">NONEDATA</td><td class="ca">NONEDATA</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca">"(3Z,5Z)-pentadeca-3,5-dienoic acid"</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB0340864" target="_blank" class="btn">HMDB0340864</a></td><td class="ca">C15H26O2</td><td class="ca">238.193280077</td><td class="ca">M+NH4-H2O</td><td class="ca">+</td><td class="ca">238.21598</td><td class="ca">109</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">Tapentadol-beta-D-glucuronide</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB0341397" target="_blank" class="btn">HMDB0341397</a></td><td class="ca">C20H31NO7</td><td class="ca">397.210052342</td><td class="ca">M+Na</td><td class="ca">+</td><td class="ca">420.19927</td><td class="ca">93</td><td class="ca">NONEDATA</td><td class="ca">NONEDATA</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca">"10-Chloro-1-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-3-phenyl-6,7-dihydrobenzo[a]quinolizin-4-one"</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB0259567" target="_blank" class="btn">HMDB0259567</a></td><td class="ca">C24H21ClN2O3</td><td class="ca">420.1240702</td><td class="ca">M+NH4-H2O</td><td class="ca">+</td><td class="ca">420.14677</td><td class="ca">31</td><td class="ca">NONEDATA</td><td class="ca">NONEDATA</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca">"N-Acetyl-9-aminominocycline, (4R)-"</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB0259457" target="_blank" class="btn">HMDB0259457</a></td><td class="ca">C20H31NO7</td><td class="ca">397.210052342</td><td class="ca">M+Na</td><td class="ca">+</td><td class="ca">420.19927</td><td class="ca">93</td><td class="ca">NONEDATA</td><td class="ca">NONEDATA</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca">Pglu-his-pro-gly; Gly-thyrotropin-releasing hormone</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB0259129" target="_blank" class="btn">HMDB0259129</a></td><td class="ca">C18H24N6O6</td><td class="ca">420.175732517</td><td class="ca">M+NH4-H2O</td><td class="ca">+</td><td class="ca">420.198433</td><td class="ca">91</td><td class="ca">NONEDATA</td><td class="ca">NONEDATA</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca">Reduced ketanserin</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB0257133" target="_blank" class="btn">HMDB0257133</a></td><td class="ca">C22H24FN3O3</td><td class="ca">397.180169808</td><td class="ca">M+Na</td><td class="ca">+</td><td class="ca">420.169388</td><td class="ca">22</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">Vaniprevir</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB0259762" target="_blank" class="btn">HMDB0259762</a></td><td class="ca">C38H55N5O9S</td><td class="ca">757.372049545</td><td class="ca">M+Na</td><td class="ca">+</td><td class="ca">780.361268</td><td class="ca">53</td><td class="ca">NONEDATA</td><td class="ca">NONEDATA</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">2-Hydroxypropyl starch</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB0303342" target="_blank" class="btn">HMDB0303342</a></td><td class="ca">C31H56O22</td><td class="ca">780.326323443</td><td class="ca">M+NH4-H2O</td><td class="ca">+</td><td class="ca">780.349023</td><td class="ca">37</td><td class="ca">NONEDATA</td><td class="ca">NONEDATA</td></tr><tr class="green"><td class="ca" colspan="2"></td><td class="ca">"N,N'-Diacetylchitobiosyldiphosphodolichol"</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB0001196" target="_blank" class="btn">HMDB0001196</a></td><td class="ca">C28H50N2O19P2</td><td class="ca">780.248300452</td><td class="ca">M+NH4-H2O</td><td class="ca">+</td><td class="ca">780.271</td><td class="ca">63</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">undec-10-enoyl-CoA</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB0300959" target="_blank" class="btn">HMDB0300959</a></td><td class="ca">C32H54N7O17P3S</td><td class="ca">933.250975475</td><td class="ca">M+Na</td><td class="ca">+</td><td class="ca">956.240193</td><td class="ca">10</td><td class="ca">NONEDATA</td><td class="ca">NONEDATA</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca">Undec-8-enoyl-CoA</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB0300958" target="_blank" class="btn">HMDB0300958</a></td><td class="ca">C32H54N7O17P3S</td><td class="ca">933.250975475</td><td class="ca">M+Na</td><td class="ca">+</td><td class="ca">956.240193</td><td class="ca">10</td><td class="ca">NONEDATA</td><td class="ca">NONEDATA</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca">Undec-9-enoyl-CoA</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB0300957" target="_blank" class="btn">HMDB0300957</a></td><td class="ca">C32H54N7O17P3S</td><td class="ca">933.250975475</td><td class="ca">M+Na</td><td class="ca">+</td><td class="ca">956.240193</td><td class="ca">10</td><td class="ca">NONEDATA</td><td class="ca">NONEDATA</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca">Undec-3-enoyl-CoA</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB0300956" target="_blank" class="btn">HMDB0300956</a></td><td class="ca">C32H54N7O17P3S</td><td class="ca">933.250975475</td><td class="ca">M+Na</td><td class="ca">+</td><td class="ca">956.240193</td><td class="ca">10</td><td class="ca">NONEDATA</td><td class="ca">NONEDATA</td></tr><tr class="white"><td class="ca" colspan="2"></td><td class="ca">(7E)-Undec-7-enoyl-CoA</td><td class="ca"><a href="http://www.hmdb.ca/metabolites/HMDB0300955" target="_blank" class="btn">HMDB0300955</a></td><td class="ca">C32H54N7O17P3S</td><td class="ca">933.250975475</td><td class="ca">M+Na</td><td class="ca">+</td><td class="ca">956.240193</td><td class="ca">10</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>
author	fgiacomoni
date	Wed, 27 Sep 2023 12:21:00 +0000
parents	d8e2ede293a6
children