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planemo upload for repository https://github.com/workflow4metabolomics/lcmsmatching.git commit 3529b25417f8e1a5836474c9adec4b696d35099d-dirty
author prog
date Tue, 12 Jul 2016 12:02:37 -0400
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1 <html>
2 <header>
3 <title>LC/MS matching results</title>
4 <style>
5 table, th, td { border-collapse: collapse; }
6 table, th { border: 1px solid black; }
7 td { border-left: 1px solid black; border-right: 1px solid black; }
8 th, td { padding: 5px; }
9 th { background-color: LightBlue; }
10 tr:nth-child(even) { background-color: LemonChiffon; }
11 tr:nth-child(odd) { background-color: LightGreen; }
12 </style>
13 </header>
14 <body>
15 <h1>LC/MS matching</h1>
16 <h2>Parameters</h2>
17 <ul>
18 <li>Mode = pos.</li>
19 <li>M/Z precision = 5.</li>
20 <li>M/Z shift = 0.</li>
21 <li>Precursor match = no.</li>
22 </ul>
23 <h2>Results</h2>
24 <h3>Matched peaks</h3>
25 <table>
26 <tr>
27 <th>mz</th>
28 <th>molid</th>
29 <th>mode</th>
30 <th>mztheo</th>
31 <th>comp</th>
32 <th>attr</th>
33 <th>molcomp</th>
34 <th>molmass</th>
35 <th>molnames</th>
36 </tr>
37 <tr>
38 <td>80.04959</td>
39 <td>U761</td>
40 <td>POS</td>
41 <td>80.04948</td>
42 <td>P9Z5W46 O0</td>
43 <td>[(M+H)-(NHCO)]+</td>
44 <td>J16L6M62O</td>
45 <td>122.048</td>
46 <td>Coquelicol;Paquerettol</td>
47 </tr>
48 <tr>
49 <td>82.04819</td>
50 <td/>
51 <td/>
52 <td/>
53 <td/>
54 <td/>
55 <td/>
56 <td/>
57 <td/>
58 </tr>
59 <tr>
60 <td>83.01344</td>
61 <td/>
62 <td/>
63 <td/>
64 <td/>
65 <td/>
66 <td/>
67 <td/>
68 <td/>
69 </tr>
70 <tr>
71 <td>84.05585</td>
72 <td/>
73 <td/>
74 <td/>
75 <td/>
76 <td/>
77 <td/>
78 <td/>
79 <td/>
80 </tr>
81 <tr>
82 <td>87.05536</td>
83 <td/>
84 <td/>
85 <td/>
86 <td/>
87 <td/>
88 <td/>
89 <td/>
90 <td/>
91 </tr>
92 <tr>
93 <td>89.50682</td>
94 <td/>
95 <td/>
96 <td/>
97 <td/>
98 <td/>
99 <td/>
100 <td/>
101 <td/>
102 </tr>
103 <tr>
104 <td>90.97681</td>
105 <td/>
106 <td/>
107 <td/>
108 <td/>
109 <td/>
110 <td/>
111 <td/>
112 <td/>
113 </tr>
114 <tr>
115 <td>92.98093</td>
116 <td/>
117 <td/>
118 <td/>
119 <td/>
120 <td/>
121 <td/>
122 <td/>
123 <td/>
124 </tr>
125 <tr>
126 <td>94.57331</td>
127 <td>A10</td>
128 <td>POS</td>
129 <td>94.57331</td>
130 <td>P93Z8W419 O2</td>
131 <td>[(M+2H)+(CH3CN)]++</td>
132 <td>J114L6M62O2</td>
133 <td>146.1055</td>
134 <td>Blablaine</td>
135 </tr>
136 <tr>
137 <td>97.07603</td>
138 <td/>
139 <td/>
140 <td/>
141 <td/>
142 <td/>
143 <td/>
144 <td/>
145 <td/>
146 </tr>
147 <tr>
148 <td>99.54296</td>
149 <td/>
150 <td/>
151 <td/>
152 <td/>
153 <td/>
154 <td/>
155 <td/>
156 <td/>
157 </tr>
158 <tr>
159 <td>101.0709</td>
160 <td/>
161 <td/>
162 <td/>
163 <td/>
164 <td/>
165 <td/>
166 <td/>
167 <td/>
168 </tr>
169 <tr>
170 <td>102.0663</td>
171 <td/>
172 <td/>
173 <td/>
174 <td/>
175 <td/>
176 <td/>
177 <td/>
178 <td/>
179 </tr>
180 <tr>
181 <td>102.2845</td>
182 <td/>
183 <td/>
184 <td/>
185 <td/>
186 <td/>
187 <td/>
188 <td/>
189 <td/>
190 </tr>
191 <tr>
192 <td>104.0034</td>
193 <td/>
194 <td/>
195 <td/>
196 <td/>
197 <td/>
198 <td/>
199 <td/>
200 <td/>
201 </tr>
202 <tr>
203 <td>104.5318</td>
204 <td/>
205 <td/>
206 <td/>
207 <td/>
208 <td/>
209 <td/>
210 <td/>
211 <td/>
212 </tr>
213 <tr>
214 <td>105.4461</td>
215 <td/>
216 <td/>
217 <td/>
218 <td/>
219 <td/>
220 <td/>
221 <td/>
222 <td/>
223 </tr>
224 <tr>
225 <td>105.7271</td>
226 <td/>
227 <td/>
228 <td/>
229 <td/>
230 <td/>
231 <td/>
232 <td/>
233 <td/>
234 </tr>
235 <tr>
236 <td>106.0231</td>
237 <td/>
238 <td/>
239 <td/>
240 <td/>
241 <td/>
242 <td/>
243 <td/>
244 <td/>
245 </tr>
246 <tr>
247 <td>106.24</td>
248 <td/>
249 <td/>
250 <td/>
251 <td/>
252 <td/>
253 <td/>
254 <td/>
255 <td/>
256 </tr>
257 <tr>
258 <td>106.5116</td>
259 <td/>
260 <td/>
261 <td/>
262 <td/>
263 <td/>
264 <td/>
265 <td/>
266 <td/>
267 </tr>
268 <tr>
269 <td>106.763</td>
270 <td/>
271 <td/>
272 <td/>
273 <td/>
274 <td/>
275 <td/>
276 <td/>
277 <td/>
278 </tr>
279 <tr>
280 <td>106.9815</td>
281 <td/>
282 <td/>
283 <td/>
284 <td/>
285 <td/>
286 <td/>
287 <td/>
288 <td/>
289 </tr>
290 <tr>
291 <td>107.2424</td>
292 <td/>
293 <td/>
294 <td/>
295 <td/>
296 <td/>
297 <td/>
298 <td/>
299 <td/>
300 </tr>
301 <tr>
302 <td>107.4569</td>
303 <td/>
304 <td/>
305 <td/>
306 <td/>
307 <td/>
308 <td/>
309 <td/>
310 <td/>
311 </tr>
312 <tr>
313 <td>107.6885</td>
314 <td/>
315 <td/>
316 <td/>
317 <td/>
318 <td/>
319 <td/>
320 <td/>
321 <td/>
322 </tr>
323 <tr>
324 <td>107.9273</td>
325 <td/>
326 <td/>
327 <td/>
328 <td/>
329 <td/>
330 <td/>
331 <td/>
332 <td/>
333 </tr>
334 <tr>
335 <td>108.1576</td>
336 <td/>
337 <td/>
338 <td/>
339 <td/>
340 <td/>
341 <td/>
342 <td/>
343 <td/>
344 </tr>
345 <tr>
346 <td>109.0777</td>
347 <td/>
348 <td/>
349 <td/>
350 <td/>
351 <td/>
352 <td/>
353 <td/>
354 <td/>
355 </tr>
356 <tr>
357 <td>110.0599</td>
358 <td/>
359 <td/>
360 <td/>
361 <td/>
362 <td/>
363 <td/>
364 <td/>
365 <td/>
366 </tr>
367 </table>
368 </body>
369 </html>