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planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit d4048accde6bdfd5b3e14f5394902d38991854f8
author prog
date Thu, 02 Mar 2017 08:55:00 -0500
parents e66bb061af06
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<html>
	<header>
		<meta charset="UTF-8"/>
		<title>LC/MS matching results</title>
		<style>
			table, th, td { border-collapse: collapse; }
			table, th { border: 1px solid black; }
			td { border-left: 1px solid black; border-right: 1px solid black; }
			th, td { padding: 5px; }
			th { background-color: LightBlue; }
			tr:nth-child(even) { background-color: LemonChiffon; }
			tr:nth-child(odd) { background-color: LightGreen; }
		</style>
	</header>
	<body>
		<h1>LC/MS matching</h1>
		<h2>Parameters</h2>
		<ul>
			<li>Mode = pos.</li>
			<li>M/Z precision = 5.</li>
			<li>M/Z shift = 0.</li>
			<li>Precursor match = no.</li>
		</ul>
		<h2>Results</h2>
		<h3>Matched peaks</h3>
		<table>
			<tr>
				<th>mz</th>
				<th>compoundid</th>
				<th>msmode</th>
				<th>mztheo</th>
				<th>peakcomp</th>
				<th>peakattr</th>
				<th>compoundcomp</th>
				<th>compoundmass</th>
				<th>fullnames</th>
			</tr>
			<tr>
				<td>80.04959</td>
				<td>U761</td>
				<td>POS</td>
				<td>80.04948</td>
				<td>P9Z5W46 O0</td>
				<td>[(M+H)-(NHCO)]+</td>
				<td>J16L6M62O</td>
				<td>122.048</td>
				<td>Coquelicol;Paquerettol</td>
			</tr>
			<tr>
				<td>82.04819</td>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
			</tr>
			<tr>
				<td>83.01344</td>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
			</tr>
			<tr>
				<td>84.05585</td>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
			</tr>
			<tr>
				<td>87.05536</td>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
			</tr>
			<tr>
				<td>89.50682</td>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
			</tr>
			<tr>
				<td>90.97681</td>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
			</tr>
			<tr>
				<td>92.98093</td>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
			</tr>
			<tr>
				<td>94.57331</td>
				<td>A10</td>
				<td>POS</td>
				<td>94.57331</td>
				<td>P93Z8W419 O2</td>
				<td>[(M+2H)+(CH3CN)]++</td>
				<td>J114L6M62O2</td>
				<td>146.1055</td>
				<td>Blablaine</td>
			</tr>
			<tr>
				<td>97.07603</td>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
			</tr>
			<tr>
				<td>99.54296</td>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
			</tr>
			<tr>
				<td>101.0709</td>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
			</tr>
			<tr>
				<td>102.0663</td>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
			</tr>
			<tr>
				<td>102.2845</td>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
			</tr>
			<tr>
				<td>104.0034</td>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
			</tr>
			<tr>
				<td>104.5318</td>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
			</tr>
			<tr>
				<td>105.4461</td>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
			</tr>
			<tr>
				<td>105.7271</td>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
			</tr>
			<tr>
				<td>106.0231</td>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
			</tr>
			<tr>
				<td>106.24</td>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
			</tr>
			<tr>
				<td>106.5116</td>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
			</tr>
			<tr>
				<td>106.763</td>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
			</tr>
			<tr>
				<td>106.9815</td>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
			</tr>
			<tr>
				<td>107.2424</td>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
			</tr>
			<tr>
				<td>107.4569</td>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
			</tr>
			<tr>
				<td>107.6885</td>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
			</tr>
			<tr>
				<td>107.9273</td>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
			</tr>
			<tr>
				<td>108.1576</td>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
			</tr>
			<tr>
				<td>109.0777</td>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
			</tr>
			<tr>
				<td>110.0599</td>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
				<td/>
			</tr>
		</table>
	</body>
</html>