Mercurial > repos > recetox > isolib
annotate test-data/test2.msp @ 5:964b4559eb1b draft default tip
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
| author | recetox |
|---|---|
| date | Thu, 15 May 2025 16:42:56 +0000 |
| parents | |
| children |
| rev | line source |
|---|---|
|
5
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
1 NAME: 2,4-Dichlorophenoxyacetic acid ou 2,4-D (M-H) |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
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changeset
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2 msLevel: MS1 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
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changeset
|
3 PRECURSORTYPE: [M-H]- |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
4 FORMULA: C8H6Cl2O3 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
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changeset
|
5 charge: -1 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
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changeset
|
6 ionization_mode: negative |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
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changeset
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7 precursor_mz: 218.962123412 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
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changeset
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8 retention_time: 484.2 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
9 Num Peaks: 18 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
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changeset
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10 218.962123019909 0.522497733874767 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
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changeset
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11 219.965477859909 0.0452095481852623 |
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964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
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12 219.966339899909 0.000597098365645753 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
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changeset
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13 219.968399765909 0.000300470751114369 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
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14 220.959172909909 0.334354410483747 |
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964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
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15 220.966368799909 0.00322118855150998 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
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changeset
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16 220.968832699909 0.00171140966293144 |
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964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
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changeset
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17 221.962527749909 0.028930291658151 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
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changeset
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18 221.963389789909 0.000382092512757472 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
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changeset
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19 221.965449655909 0.000192275897756397 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
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20 221.969723639909 0.000278716001222334 |
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964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
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changeset
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21 222.956222799909 0.053489644338213 |
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964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
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22 222.963418689909 0.00206128855566531 |
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964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
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changeset
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23 222.965882589909 0.00109515760901421 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
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changeset
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24 223.959577639909 0.00462823567709596 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
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changeset
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25 223.966773529909 0.000178354695607956 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
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changeset
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26 224.960468579909 0.000329762635885211 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
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changeset
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27 224.962932479909 0.000175202088453698 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
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changeset
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28 |
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964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
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changeset
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29 NAME: 2-diethylamino-6-methyl pyrimidin-4-ol/one (M-H) |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
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30 msLevel: MS1 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
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changeset
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31 PRECURSORTYPE: [M-H]- |
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964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
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32 FORMULA: C9H15N3O1 |
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964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
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changeset
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33 charge: -1 |
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964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
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changeset
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34 ionization_mode: negative |
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964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
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changeset
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35 precursor_mz: 180.1142361 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
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changeset
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36 retention_time: 451.8 |
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964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
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changeset
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37 Num Peaks: 10 |
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964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
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38 180.114235677909 0.894221400895406 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
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39 181.111270637909 0.00980057177905359 |
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964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
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40 181.117590517909 0.0870449013506799 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
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41 181.118452557909 0.000340631867778957 |
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964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
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42 181.120512423909 0.00143986203957616 |
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964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
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43 182.114625477909 0.000954002893280967 |
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964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
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44 182.118481457909 0.00183761928670227 |
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964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
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45 182.120945357909 0.00376581600910654 |
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964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
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46 182.123867263909 0.000140158409391675 |
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964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
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47 183.121836297909 0.000178876718194106 |
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964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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48 |
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964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
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changeset
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49 NAME: 3,5,6-Trichloro-2-pyridinol (M-H) |
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964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
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changeset
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50 msLevel: MS1 |
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964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
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changeset
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51 PRECURSORTYPE: [M-H]- |
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964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
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changeset
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52 FORMULA: C5H2Cl3N1O1 |
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964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
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changeset
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53 charge: -1 |
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964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
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changeset
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54 ionization_mode: negative |
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964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
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changeset
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55 precursor_mz: 195.912920724 |
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964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
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56 retention_time: 499.2 |
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964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
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changeset
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57 Num Peaks: 19 |
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964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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58 195.912920371909 0.409514855421874 |
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964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
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59 196.909955331909 0.00149607980422299 |
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964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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60 196.916275211909 0.0221460070404026 |
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964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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61 196.917137251909 0.000155994712210985 |
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964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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62 197.909970261909 0.393082369143066 |
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964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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63 197.917166151909 0.000841550421138207 |
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964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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64 197.919630051909 0.000479050389835858 |
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964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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65 198.907005221909 0.00143604703488775 |
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964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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66 198.913325101909 0.0212573605065744 |
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964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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67 198.914187141909 0.000149735156705158 |
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964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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68 199.907020151909 0.125769754857813 |
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964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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69 199.914216041909 0.000807781766435724 |
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964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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70 199.916679941909 0.00045982767091953 |
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964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
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71 200.904055111909 0.00045947439447834 |
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964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
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72 200.910374991909 0.00680145747992823 |
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964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
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73 201.904070041909 0.0134136697366833 |
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964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
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74 201.911265931909 0.000258456045649445 |
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964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
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75 201.913729831909 0.00014712543219495 |
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964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
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76 202.907424881909 0.00072539303640206 |
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964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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77 |
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964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
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changeset
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78 NAME: 3-phenoxybenzoic acid (M-H) |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
79 msLevel: MS1 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
80 PRECURSORTYPE: [M-H]- |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
81 FORMULA: C13H10O3 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
82 charge: -1 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
83 ionization_mode: negative |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
84 precursor_mz: 213.05571818 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
85 retention_time: 517.8 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
86 Num Peaks: 10 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
87 213.055717727909 0.862272901176545 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
88 214.059072567909 0.121239422373049 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
89 214.059934607909 0.000985385594335497 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
90 214.061994473909 0.000892555096553828 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
91 215.059963507909 0.0053158959694415 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
92 215.062427407909 0.0078677559045282 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
93 215.063289447909 0.000138549617074768 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
94 215.065349313909 0.000125497234338055 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
95 216.063318347909 0.000747438723692826 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
96 216.065782247909 0.000312016870502028 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
97 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
98 NAME: 4-Fluoro-3-phenoxybenzoic acid (M-H) |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
99 msLevel: MS1 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
100 PRECURSORTYPE: [M-H]- |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
101 FORMULA: C13H9F1O3 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
102 charge: -1 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
103 ionization_mode: negative |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
104 precursor_mz: 231.046296368 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
105 retention_time: 532.2 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
106 Num Peaks: 10 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
107 231.046295895909 0.862372073965051 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
108 232.049650735909 0.121253366510198 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
109 232.050512775909 0.000985498926712069 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
110 232.052572641909 0.00079347355750696 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
111 233.050541675909 0.00531650736778879 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
112 233.053005575909 0.00786866080052026 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
113 233.053867615909 0.000138565552113261 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
114 233.055927481909 0.000111565927271018 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
115 234.053896515909 0.000747524689032064 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
116 234.056360415909 0.000312052756569034 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
117 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
118 NAME: 4-nitrophenol (M-H) |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
119 msLevel: MS1 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
120 PRECURSORTYPE: [M-H]- |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
121 FORMULA: C6H5N1O3 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
122 charge: -1 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
123 ionization_mode: negative |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
124 precursor_mz: 138.01966702 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
125 retention_time: 165 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
126 Num Peaks: 9 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
127 138.019666577909 0.926861177685563 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
128 139.016701537909 0.00338610009110708 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
129 139.023021417909 0.0601480719775732 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
130 139.023883457909 0.00105919558783999 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
131 139.025943323909 0.000426405178330867 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
132 140.020056377909 0.00021973883134446 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
133 140.023912357909 0.00571408146071575 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
134 140.026376257909 0.00162636300960283 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
135 141.027267197909 0.00037081171512984 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
136 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
137 NAME: 6-Chloronicotinic acid (M-H) |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
138 msLevel: MS1 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
139 PRECURSORTYPE: [M-H]- |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
140 FORMULA: C6H4Cl1N1O2 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
141 charge: -1 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
142 ionization_mode: negative |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
143 precursor_mz: 155.985780048 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
144 retention_time: 172.2 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
145 Num Peaks: 15 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
146 155.985779635909 0.70398146431364 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
147 156.982814595909 0.00257185407894903 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
148 156.989134475909 0.0456844334468166 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
149 156.989996515909 0.000536329192816912 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
150 156.992056381909 0.000242901538865175 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
151 157.982829525909 0.22524433335484 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
152 157.986169435909 0.000166898849558807 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
153 157.990025415909 0.00289335485598597 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
154 157.992489315909 0.00123527604842044 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
155 158.979864485909 0.000822884673623606 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
156 158.986184365909 0.0146170890542613 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
157 158.987046405909 0.000171602687881229 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
158 158.993380255909 0.00018776243986081 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
159 159.987075305909 0.000925751342517159 |
|
964b4559eb1b
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|
160 159.989539205909 0.000395236159103901 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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|
161 |
|
964b4559eb1b
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changeset
|
162 NAME: Acetochlor mercapturate (M-H) |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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163 msLevel: MS1 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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changeset
|
164 PRECURSORTYPE: [M-H]- |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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changeset
|
165 FORMULA: C19H28N2O5S1 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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changeset
|
166 charge: -1 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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changeset
|
167 ionization_mode: negative |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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changeset
|
168 precursor_mz: 395.164616996 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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changeset
|
169 retention_time: 607.2 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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170 Num Peaks: 23 |
|
964b4559eb1b
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changeset
|
171 395.164616293909 0.757026298222216 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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changeset
|
172 396.161651253909 0.00553128532965769 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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changeset
|
173 396.164004103909 0.00597715258097339 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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|
174 396.167971133909 0.155568024288463 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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|
175 396.168833173909 0.00144185367104284 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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changeset
|
176 396.170893039909 0.00235083700223524 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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|
177 397.160412433909 0.0338705312921825 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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|
178 397.165006093909 0.00113667270546791 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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|
179 397.167358943909 0.00122829790732022 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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|
180 397.168862073909 0.00777842112009956 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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changeset
|
181 397.171325973909 0.0151432333356707 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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changeset
|
182 397.172188013909 0.000296299253333681 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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|
183 397.174247879909 0.000483094271256872 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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|
184 398.157447393909 0.000247478288778242 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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|
185 398.163767273909 0.00696035480814789 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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|
186 398.166689179909 0.000105180095373195 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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changeset
|
187 398.168360933909 0.000110645488260952 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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|
188 398.170713783909 0.000119564427852963 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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changeset
|
189 398.172216913909 0.00159845649824749 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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|
190 398.174680813909 0.000928115550981669 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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changeset
|
191 399.164658213909 0.000348018631018245 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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|
192 399.167122113909 0.00067753175783346 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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|
193 399.175571753909 0.000155596240555173 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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|
194 |
|
964b4559eb1b
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|
195 NAME: Alachlor mercapturate (M-H) |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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196 msLevel: MS1 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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|
197 PRECURSORTYPE: [M-H]- |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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|
198 FORMULA: C19H28N2O5S1 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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|
199 charge: -1 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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|
200 ionization_mode: negative |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
|
201 precursor_mz: 395.164616996 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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changeset
|
202 retention_time: 607.2 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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changeset
|
203 Num Peaks: 23 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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changeset
|
204 395.164616293909 0.757026298222216 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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changeset
|
205 396.161651253909 0.00553128532965769 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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changeset
|
206 396.164004103909 0.00597715258097339 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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changeset
|
207 396.167971133909 0.155568024288463 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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|
208 396.168833173909 0.00144185367104284 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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|
209 396.170893039909 0.00235083700223524 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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changeset
|
210 397.160412433909 0.0338705312921825 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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|
211 397.165006093909 0.00113667270546791 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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changeset
|
212 397.167358943909 0.00122829790732022 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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|
213 397.168862073909 0.00777842112009956 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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|
214 397.171325973909 0.0151432333356707 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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|
215 397.172188013909 0.000296299253333681 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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216 397.174247879909 0.000483094271256872 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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|
217 398.157447393909 0.000247478288778242 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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218 398.163767273909 0.00696035480814789 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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219 398.166689179909 0.000105180095373195 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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220 398.168360933909 0.000110645488260952 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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|
221 398.170713783909 0.000119564427852963 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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|
222 398.172216913909 0.00159845649824749 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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|
223 398.174680813909 0.000928115550981669 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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changeset
|
224 399.164658213909 0.000348018631018245 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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225 399.167122113909 0.00067753175783346 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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226 399.175571753909 0.000155596240555173 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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227 |
|
964b4559eb1b
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228 NAME: Bentazone (M-H) |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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229 msLevel: MS1 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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|
230 PRECURSORTYPE: [M-H]- |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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|
231 FORMULA: C10H12N2O3S1 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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|
232 charge: -1 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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233 ionization_mode: negative |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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|
234 precursor_mz: 239.049587244 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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235 retention_time: 747.6 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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236 Num Peaks: 19 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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|
237 239.049586541909 0.839597762562577 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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|
238 240.046621501909 0.00613460166150343 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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239 240.048974351909 0.00662910118877705 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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changeset
|
240 240.052941381909 0.0908086127506274 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
|
241 240.053803421909 0.000959472968635121 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
|
242 240.055863287909 0.00106221332417394 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
|
243 241.045382681909 0.0375649067364033 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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|
244 241.049976341909 0.000663501847549648 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
|
245 241.052329191909 0.000716985572828409 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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|
246 241.053832321909 0.00517610417289999 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
|
247 241.056296221909 0.00441972576967827 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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|
248 241.057158261909 0.000103773989329787 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
|
249 241.059218127909 0.000114886107031852 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
|
250 242.042417641909 0.000274471597656486 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
|
251 242.048737521909 0.00406291824602765 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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|
252 242.057187161909 0.000559833363489638 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
|
253 242.059651061909 0.000127473474808605 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
|
254 243.049628461909 0.000231586932675281 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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|
255 243.052092361909 0.000197745389210787 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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|
256 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
|
257 NAME: Diethylthiophosphate (M-H) |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
|
258 msLevel: MS1 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
|
259 PRECURSORTYPE: [M-H]- |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
|
260 FORMULA: C4H11O3P1S1 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
|
261 charge: -1 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
|
262 ionization_mode: negative |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
|
263 precursor_mz: 169.009375842 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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changeset
|
264 retention_time: 177 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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changeset
|
265 Num Peaks: 12 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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changeset
|
266 169.009374979909 0.902236924603131 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
|
267 170.008762789909 0.00712367294928254 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
|
268 170.012729819909 0.0390333977287112 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
|
269 170.013591859909 0.00103105555905608 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
|
270 170.015651725909 0.00103769179785035 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
|
271 171.005171119909 0.0403674800459344 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
|
272 171.012117629909 0.000308190844262906 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
|
273 171.013620759909 0.00556227341069725 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
|
274 171.016084659909 0.000633261936263838 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
|
275 172.008525959909 0.00174641478415647 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
|
276 172.016975599909 0.000240640151599962 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
|
277 173.009416899909 0.000248864743609468 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
|
278 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
279 NAME: Fenhexamid (M-H) |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
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changeset
|
280 msLevel: MS1 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
|
281 PRECURSORTYPE: [M-H]- |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
|
282 FORMULA: C14H17Cl2N1O2 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
|
283 charge: -1 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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changeset
|
284 ionization_mode: negative |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
|
285 precursor_mz: 300.056358144 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
|
286 retention_time: 689.4 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
|
287 Num Peaks: 26 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
|
288 300.056357761909 0.488625306023648 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
|
289 301.053392721909 0.00178509385556032 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
|
290 301.059712601909 0.0739877396566688 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
|
291 301.060574641909 0.000372259823950172 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
|
292 301.062634507909 0.000899173968089843 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
|
293 302.053407651909 0.31267891811017 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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|
294 302.056747561909 0.000270299261662727 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
|
295 302.060603541909 0.00200824378709961 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
|
296 302.063067441909 0.00520150337927961 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
|
297 302.065989347909 0.000136153098574607 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
|
298 303.050442611909 0.00114230926765528 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
|
299 303.056762491909 0.047345903096031 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
|
300 303.057624531909 0.000238214839824503 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
|
301 303.059684397909 0.000575395379791388 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
|
302 303.063958381909 0.000304088668055718 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
|
303 303.066422281909 0.000225032189056067 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
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changeset
|
304 304.050457541909 0.0500220233301908 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
|
305 304.053797451909 0.000172968693313213 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
|
306 304.057653431909 0.00128510637273745 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
|
307 304.060117331909 0.00332852275379455 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
|
308 305.047492501909 0.000182745358025106 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
|
309 305.053812381909 0.0075743445818888 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
|
310 305.061008271909 0.000194591058967017 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
|
311 305.063472171909 0.000144001590884875 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
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changeset
|
312 306.054703321909 0.000205589879059898 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
|
313 306.057167221909 0.000532493344456045 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
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|
314 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
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changeset
|
315 NAME: Fenvalerate free acid (M-H) |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
|
316 msLevel: MS1 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
|
317 PRECURSORTYPE: [M-H]- |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
|
318 FORMULA: C11H13Cl1O2 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
|
319 charge: -1 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
320 ionization_mode: negative |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
321 precursor_mz: 211.053131336 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
322 retention_time: 585 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
323 Num Peaks: 16 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
324 211.053130913909 0.668860370672033 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
325 212.056485753909 0.0795763323846136 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
326 212.057347793909 0.000509572142015843 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
327 212.059407659909 0.000923133471876671 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
328 213.050180803909 0.21400706685705 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
329 213.057376693909 0.00274900760824337 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
330 213.059840593909 0.00430337994802065 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
331 213.062762499909 0.000109827968907191 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
332 214.053535643909 0.0254610651663547 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
333 214.054397683909 0.000163041561806548 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
334 214.056457549909 0.000295363719090424 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
335 214.060731533909 0.000327057713019553 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
336 214.063195433909 0.000139632564774551 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
337 215.054426583909 0.000879566320272165 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
338 215.056890483909 0.00137689981441421 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
339 216.057781423909 0.000104644653690522 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
340 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
341 NAME: Fipronil (M-H) |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
342 msLevel: MS1 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
343 PRECURSORTYPE: [M-H]- |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
344 FORMULA: C12H4Cl2F6N4O1S1 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
345 charge: -1 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
346 ionization_mode: negative |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
347 precursor_mz: 434.931430428 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
348 retention_time: 750 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
349 Num Peaks: 37 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
350 434.931429685909 0.470925930271005 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
351 435.928464645909 0.00688173104575237 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
352 435.930817495909 0.00371822768400099 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
353 435.934784525909 0.0611208828937603 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
354 435.935646565909 0.000179387765773812 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
355 435.937706431909 0.000162488132078686 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
356 436.927225825909 0.0210699568760056 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
357 436.928479575909 0.301352812823896 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
358 436.931819485909 0.000893171198094213 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
359 436.934172335909 0.000482584084328037 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
360 436.935675465909 0.000967749789042935 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
361 436.938139365909 0.00363586774314949 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
362 437.924260785909 0.000307899325660044 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
363 437.925514535909 0.00440372651924598 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
364 437.927867385909 0.00237935161193727 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
365 437.930580665909 0.00273464314452554 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
366 437.931834415909 0.0391122017250462 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
367 437.932696455909 0.000114793015901722 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
368 437.934756321909 0.000103978677972211 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
369 437.939030305909 0.000125603025283648 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
370 437.941494205909 0.000131081858727382 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
371 438.924275715909 0.0134829924676446 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
372 438.925529465909 0.0482100856840762 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
373 438.928869375909 0.000571554114091967 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
374 438.931222225909 0.000308813046571056 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
375 438.932725355909 0.000619278112101393 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
376 438.933935505909 0.000162674364758241 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
377 438.935189255909 0.00232664820733748 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
378 439.921310675909 0.000197029557919733 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
379 439.922564425909 0.000704503239351389 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
380 439.924917275909 0.000380646007611929 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
381 439.927630555909 0.00174994059723599 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
382 439.928884305909 0.0062571262527397 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
383 440.921325605909 0.00215699404313427 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
384 440.930985395909 0.000104097851154693 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
385 440.932239145909 0.000372214575936249 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
386 441.924680445909 0.000279953537994986 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
387 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
388 NAME: Fipronil sulfone (M-H) |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
389 msLevel: MS1 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
390 PRECURSORTYPE: [M-H]- |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
391 FORMULA: C12H4Cl2F6N4O2S1 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
392 charge: -1 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
393 ionization_mode: negative |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
394 precursor_mz: 450.926345048 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
395 retention_time: 771 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
396 Num Peaks: 39 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
397 450.926344305909 0.469781580260447 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
398 451.923379265909 0.0068650084393112 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
399 451.925732115909 0.00370919239072887 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
400 451.929699145909 0.0609723591483285 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
401 451.930561185909 0.000357903707005964 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
402 451.932621051909 0.000162093285917735 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
403 452.922140445909 0.0210187568807969 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
404 452.923394195909 0.300620525488734 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
405 452.926734105909 0.000891000792082844 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
406 452.929086955909 0.00048141140500312 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
407 452.930590085909 0.00193079631411112 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
408 452.933053985909 0.00362703258453364 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
409 453.919175405909 0.00030715113029869 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
410 453.920429155909 0.00439302546380421 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
411 453.922782005909 0.00237356978752027 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
412 453.925495285909 0.00272799796168435 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
413 453.926749035909 0.0390171590748543 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
414 453.927611075909 0.000229028137746161 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
415 453.929670941909 0.000103726009784738 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
416 453.933944925909 0.000250595619864417 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
417 453.936408825909 0.000130763329810674 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
418 454.919190335909 0.0134502287959482 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
419 454.920444085909 0.0480929351758639 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
420 454.923783995909 0.000570165237594724 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
421 454.926136845909 0.000308062630867889 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
422 454.927639975909 0.00123554653257797 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
423 454.928850125909 0.000162279066051879 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
424 454.930103875909 0.00232099445219365 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
425 455.916225295909 0.000196550776093988 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
426 455.917479045909 0.000702791296479765 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
427 455.919831895909 0.000379721037813432 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
428 455.922545175909 0.0017456882415847 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
429 455.923798925909 0.00624192143594554 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
430 455.930994815909 0.000160360027072689 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
431 456.916240225909 0.00215175254760945 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
432 456.924689865909 0.000197661351304713 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
433 456.925900015909 0.000103844893376387 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
434 456.927153765909 0.000371310094516724 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
435 457.919595065909 0.000279273250897658 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
436 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
437 NAME: Hydroxy-tebuconazole (M-H) |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
438 msLevel: MS1 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
439 PRECURSORTYPE: [M-H]- |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
440 FORMULA: C16H22Cl1N3O2 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
441 charge: -1 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
442 ionization_mode: negative |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
443 precursor_mz: 322.132778624 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
444 retention_time: 696.6 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
445 Num Peaks: 21 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
446 322.132778231909 0.626289083545843 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
447 323.129813191909 0.00686406197792023 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
448 323.136133071909 0.108380360965378 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
449 323.136995111909 0.00047713915163331 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
450 323.139054977909 0.00151266209290389 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
451 324.129828121909 0.200386053130296 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
452 324.133168031909 0.00118783726940255 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
453 324.137024011909 0.00257404016012706 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
454 324.139487911909 0.00879159402352327 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
455 324.142409817909 0.000261768675129027 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
456 325.126863081909 0.00219620990423425 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
457 325.133182961909 0.0346771376689646 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
458 325.134045001909 0.000152664374809813 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
459 325.136104867909 0.000483987976927012 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
460 325.140378851909 0.000445441903784245 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
461 325.142842751909 0.000443741630352703 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
462 326.130217921909 0.000380057753568081 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
463 326.134073901909 0.000823584127263464 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
464 326.136537801909 0.00281293874247893 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
465 327.137428741909 0.000142522594347018 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
466 327.139892641909 0.000141978578666176 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
467 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
468 NAME: Fluopyram (M-H) |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
469 msLevel: MS1 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
470 PRECURSORTYPE: [M-H]- |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
471 FORMULA: C16H11Cl1F6N2O1 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
472 charge: -1 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
473 ionization_mode: negative |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
474 precursor_mz: 395.039133972 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
475 retention_time: 725.4 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
476 Num Peaks: 19 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
477 395.039133449909 0.630905904516993 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
478 396.036168409909 0.00460977456429775 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
479 396.042488289909 0.10917930946458 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
480 396.043350329909 0.000240328241342921 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
481 396.045410195909 0.000725625237096808 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
482 397.036183339909 0.201863240832787 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
483 397.039523249909 0.000797729106851082 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
484 397.043379229909 0.00129650761777102 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
485 397.045843129909 0.00885640309767772 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
486 397.048765035909 0.000125570646508616 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
487 398.033218299909 0.00147493314992843 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
488 398.039538179909 0.0349327674422047 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
489 398.042460085909 0.000232169426441745 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
490 398.046734069909 0.000224362785972302 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
491 398.049197969909 0.00044701276459184 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
492 399.036573139909 0.000255239619193113 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
493 399.040429119909 0.000414827674957359 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
494 399.042893019909 0.00283367490876066 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
495 400.046247859909 0.000143025203454411 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
496 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
497 NAME: Mecoprop (M-H) |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
498 msLevel: MS1 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
499 PRECURSORTYPE: [M-H]- |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
500 FORMULA: C10H11Cl1O3 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
501 charge: -1 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
502 ionization_mode: negative |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
503 precursor_mz: 213.032395892 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
504 retention_time: 544.8 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
505 Num Peaks: 15 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
506 213.032395469909 0.674606823518754 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
507 214.035750309909 0.0729636410760201 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
508 214.036612349909 0.000770925126869673 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
509 214.038672215909 0.000775887074060084 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
510 215.029445359909 0.215845689045599 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
511 215.036641249909 0.0041589381844285 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
512 215.039105149909 0.00355119712707001 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
513 216.032800199909 0.0233452832587477 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
514 216.033662239909 0.000246663477762947 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
515 216.035722105909 0.000248251091277936 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
516 216.039996089909 0.000449819453890477 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
517 216.042459989909 0.000102423421974188 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
518 217.033691139909 0.00133068455108958 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
519 217.036155039909 0.00113623308289569 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
520 218.037045979909 0.000143923225479213 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
521 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
522 NAME: p-Toluenesulfonamide (M-H) |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
523 msLevel: MS1 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
524 PRECURSORTYPE: [M-H]- |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
525 FORMULA: C7H9N1O2S1 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
526 charge: -1 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
527 ionization_mode: negative |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
528 precursor_mz: 170.028123528 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
529 retention_time: 362.4 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
530 Num Peaks: 15 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
531 170.028122815909 0.872725009190018 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
532 171.025157775909 0.00318832453475819 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
533 171.027510625909 0.00689065961567021 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
534 171.031477655909 0.0660740960157004 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
535 171.032339695909 0.000664886681620752 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
536 171.034399561909 0.000802999353380455 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
537 172.023918955909 0.0390470711554645 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
538 172.028512615909 0.000241388363138975 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
539 172.030865465909 0.000521692515125542 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
540 172.032368595909 0.00358688867716458 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
541 172.034832495909 0.00214391840908115 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
542 173.020953915909 0.000142650587143092 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
543 173.027273795909 0.00295625758571141 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
544 173.035723435909 0.000271563693439429 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
545 174.028164735909 0.000160482965343189 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
546 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
547 NAME: Triclosan (M-H) |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
548 msLevel: MS1 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
549 PRECURSORTYPE: [M-H]- |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
550 FORMULA: C12H7Cl3O2 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
551 charge: -1 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
552 ionization_mode: negative |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
553 precursor_mz: 286.943886504 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
554 retention_time: 811.8 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
555 Num Peaks: 22 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
556 286.943886141909 0.380052056320174 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
557 287.947240981909 0.049326477339038 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
558 287.948103021909 0.000289543152664306 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
559 287.950162887909 0.000262266079460058 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
560 288.940936031909 0.364801815411867 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
561 288.948131921909 0.00156200911305744 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
562 288.950595821909 0.00293425977095157 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
563 289.944290871909 0.0473471677942825 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
564 289.945152911909 0.0002779247368235 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
565 289.947212777909 0.000251742202987532 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
566 289.951486761909 0.000202731193891211 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
567 289.953950661909 0.000105787188076356 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
568 290.937985921909 0.116721172196194 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
569 290.945181811909 0.00149933081707414 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
570 290.947645711909 0.00281651756261349 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
571 291.941340761909 0.0151490938137989 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
572 291.948536651909 0.00019459625686073 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
573 291.951000551909 0.000101542295629787 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
574 292.935035811909 0.0124486149860777 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
575 292.942231701909 0.000479722531756563 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
576 292.944695601909 0.000901166654141381 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
577 293.938390651909 0.00161569004772301 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
578 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
579 NAME: Triclosan glucuronide (M-H) |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
580 msLevel: MS1 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
581 PRECURSORTYPE: [M-H]- |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
582 FORMULA: C18H15Cl3O8 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
583 charge: -1 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
584 ionization_mode: negative |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
585 precursor_mz: 462.97597448 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
586 retention_time: 665.4 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
587 Num Peaks: 33 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
588 462.975974117909 0.350809905638863 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
589 463.979328957909 0.0682967631922016 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
590 463.980190997909 0.00106905992876905 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
591 463.982250863909 0.00056486890800299 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
592 464.973024007909 0.336733056204569 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
593 464.980219897909 0.00576729698414884 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
594 464.982683797909 0.00627877348865939 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
595 464.983545837909 0.000208127910927848 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
596 464.985605703909 0.000109970435339509 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
597 465.976378847909 0.0655562383756191 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
598 465.977240887909 0.00102616206467906 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
599 465.979300753909 0.000542202573785341 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
600 465.983574737909 0.00112279530895286 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
601 465.986038637909 0.000362184043013069 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
602 466.970073897909 0.107740354836309 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
603 466.977269787909 0.00553587429629493 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
604 466.979733687909 0.0060268269283964 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
605 466.980595727909 0.000199776421365801 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
606 466.982655593909 0.000105557682918282 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
607 466.986929577909 0.000103222716414902 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
608 467.973428737909 0.0209752272732973 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
609 467.974290777909 0.000328328516998685 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
610 467.976350643909 0.000173481921707453 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
611 467.980624627909 0.00107774122052603 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
612 467.983088527909 0.00034765078679924 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
613 468.967123787909 0.0114907875802188 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
614 468.974319677909 0.00177124594696659 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
615 468.976783577909 0.00192833005206347 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
616 469.970478627909 0.00223706225406867 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
617 469.977674517909 0.00034483166823589 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
618 469.980138417909 0.00011123356747642 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
619 470.971369567909 0.000188907962664864 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
620 470.973833467909 0.000205661388868438 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
621 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
622 NAME: Triclosan sulfate (M-H) |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
623 msLevel: MS1 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
624 PRECURSORTYPE: [M-H]- |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
625 FORMULA: C12H7Cl3O5S1 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
626 charge: -1 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
627 ionization_mode: negative |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
628 precursor_mz: 366.900701364 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
629 retention_time: 695.4 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
630 Num Peaks: 40 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
631 366.900700731909 0.35838606486982 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
632 367.900088541909 0.00282966152913322 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
633 367.904055571909 0.0465144756184018 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
634 367.904917611909 0.000682592222352976 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
635 367.906977477909 0.000247314825965162 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
636 368.896496871909 0.0160347486650883 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
637 368.897750621909 0.34400520904611 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
638 368.903443381909 0.000367258203114026 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
639 368.904946511909 0.00368240541006211 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
640 368.907410411909 0.00276698361482154 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
641 369.897138431909 0.00271611650473295 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
642 369.899851711909 0.00208112981764615 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
643 369.901105461909 0.0446480024679274 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
644 369.901967501909 0.00065520203814029 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
645 369.904027367909 0.000237390894194648 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
646 369.908301351909 0.000477934756547028 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
647 370.893546761909 0.0153913268601534 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
648 370.894800511909 0.110067136579695 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
649 370.900493271909 0.000352521337519166 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
650 370.900742651909 0.000164756532190377 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
651 370.901996401909 0.00353464257417788 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
652 370.903206551909 0.000123799140572603 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
653 370.904460301909 0.00265595364928487 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
654 371.894188321909 0.000869042556424586 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
655 371.896901601909 0.0019976209126086 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
656 371.898155351909 0.0142854749184604 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
657 371.899017391909 0.000209636977356397 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
658 371.905351241909 0.000458756804330779 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
659 372.890596651909 0.00492457448640599 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
660 372.891850401909 0.011738944872808 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
661 372.897543161909 0.000112791937981317 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
662 372.897792541909 0.000158145393623076 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
663 372.899046291909 0.00113093632521214 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
664 372.900256441909 0.0001188314876246 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
665 372.901510191909 0.000849792983878898 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
666 373.893951491909 0.000639154315227463 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
667 373.895205241909 0.00152358285825185 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
668 373.902401131909 0.000146782800118507 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
669 374.887646541909 0.000525218609426615 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
670 374.896096181909 0.000120617284948708 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
671 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
672 NAME: acetamiprid-N-desmethyl (M-H) |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
673 msLevel: MS1 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
674 PRECURSORTYPE: [M-H]- |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
675 FORMULA: C9H9N4Cl1 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
676 charge: -1 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
677 ionization_mode: negative |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
678 precursor_mz: 207.044297968 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
679 retention_time: 402.6 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
680 Num Peaks: 12 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
681 207.044297585909 0.677107477201592 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
682 208.041332545909 0.00989470158181298 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
683 208.047652425909 0.0659106944855082 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
684 208.050574331909 0.000623010525235867 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
685 209.041347475909 0.216645792599876 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
686 209.044687385909 0.000963165634619013 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
687 209.051007265909 0.00285148865256217 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
688 210.038382435909 0.00316588656735938 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
689 210.044702315909 0.0210886382567149 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
690 210.047624221909 0.000199337052952975 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
691 211.041737275909 0.000308172320263528 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
parents:
diff
changeset
|
692 211.048057155909 0.000912355925793386 |
|
964b4559eb1b
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit 0765a69d2180d0cfda663cc1b4585a8935142169
recetox
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changeset
|
693 |