Mercurial > repos > recetox > matchms_fingerprint_similarity
annotate test-data/convert/ms_lima_output.msp @ 10:5be32c7ce669 draft
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit da193865f41a3a840ecc4ba0afab1d358554998a
author | recetox |
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date | Mon, 05 Feb 2024 10:41:48 +0000 |
parents | df85b26201d1 |
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df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
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1 FORMULA: C4H10NO3PS |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
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2 INCHIKEY: YASYVMFAVPKPKE-SECBINFHSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
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3 SMILES: COP(=O)(N=C(O)C)SC |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
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4 NAME: Acephate |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
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changeset
|
5 RETENTIONTIME: 1.232997 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
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6 PRECURSORMZ: 184.0194 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
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diff
changeset
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7 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
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8 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
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diff
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9 NUM PEAKS: 16 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
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changeset
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10 90.09368 1128.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
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changeset
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11 93.11512 1241.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
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changeset
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12 95.10279 1118.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
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changeset
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13 101.31465 1152.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
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changeset
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14 102.90688 1322.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
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changeset
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15 103.98039 1201.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
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diff
changeset
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16 112.01607 12289.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
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changeset
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17 112.99994 38027.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
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changeset
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18 115.00399 1634.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
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changeset
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19 124.98121 922.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
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20 128.97701 9208.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
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changeset
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21 132.57193 1350.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
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changeset
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22 135.84808 1428.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
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changeset
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23 142.99275 16419.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
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24 147.94205 1750.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
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25 173.5094 2353.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
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26 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
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changeset
|
27 FORMULA: C12H11NO2 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
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changeset
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28 INCHIKEY: CVXBEEMKQHEXEN-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
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29 SMILES: CN=C(Oc1cccc2c1cccc2)O |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
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30 NAME: Carbaryl |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
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diff
changeset
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31 RETENTIONTIME: 5.259445 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
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32 PRECURSORMZ: 202.0863 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
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33 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
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34 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
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changeset
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35 NUM PEAKS: 1 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
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changeset
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36 145.06491 1326147.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
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37 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
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38 FORMULA: C8H16NO5P |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
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39 INCHIKEY: VEENJGZXVHKXNB-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
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40 SMILES: COP(=O)(OC(=CC(=O)N(C)C)C)OC |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
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changeset
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41 NAME: Dicrotophos |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
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changeset
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42 RETENTIONTIME: 2.025499 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
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43 PRECURSORMZ: 238.0844 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
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44 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
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45 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
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46 NUM PEAKS: 5 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
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47 112.074 102027.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
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48 112.07591 9070987.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
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49 127.01563 3230337.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
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50 193.02605 7897744.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
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51 238.08437 2973124.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
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52 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
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53 FORMULA: C5H12NO3PS2 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
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54 INCHIKEY: MCWXGJITAZMZEV-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
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55 SMILES: CN=C(CSP(=S)(OC)OC)O |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
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56 NAME: Dimethoate |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
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57 RETENTIONTIME: 2.866696 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
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58 PRECURSORMZ: 230.0072 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
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59 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
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60 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
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61 NUM PEAKS: 8 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
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changeset
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62 88.0219 548446.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
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63 124.98233 183861.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
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changeset
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64 142.99275 722053.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
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changeset
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65 156.95422 80792.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
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changeset
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66 170.97 1426256.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
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67 197.98123 240915.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
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68 198.96501 5415933.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
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69 230.00722 497851.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
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70 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
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71 FORMULA: C21H22NO4Cl |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
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72 INCHIKEY: QNBTYORWCCMPQP-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
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73 SMILES: COc1cc(ccc1OC)C(=CC(=O)N1CCOCC1)c1ccc(cc1)Cl |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
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74 NAME: Dimethomorph |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
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75 RETENTIONTIME: 7.060486 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
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changeset
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76 PRECURSORMZ: 388.1316 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
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changeset
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77 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
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78 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
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79 NUM PEAKS: 22 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
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changeset
|
80 114.05532 468862.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
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81 125.01571 886745.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
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82 138.99484 4138370.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
83 155.0705 425164.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
84 165.05519 15513399.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
85 165.06543 350695.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
86 195.08057 386226.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
87 215.0262 490061.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
88 223.07544 702025.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
89 227.02576 230514.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
90 229.04225 216308.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
91 235.07555 241142.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
92 238.09914 1323577.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
93 242.04929 2449236.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
94 243.02142 891584.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
95 257.03726 578874.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
96 258.04443 3232295.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
97 266.0943 358273.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
98 270.04492 608851.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
99 273.06772 3866006.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
100 286.03912 483547.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
101 301.06311 4060551.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
102 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
103 FORMULA: C2H8NO2PS |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
104 INCHIKEY: NNKVPIKMPCQWCG-ZCFIWIBFSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
105 SMILES: COP(=O)(SC)N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
106 NAME: Methamidophos |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
107 RETENTIONTIME: 1.153307 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
108 PRECURSORMZ: 142.0089 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
109 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
110 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
111 NUM PEAKS: 4 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
112 98.00042 37721.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
113 109.98272 71172.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
114 112.01607 2867923.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
115 127.99321 75837.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
116 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
117 FORMULA: C7H13O6P |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
118 INCHIKEY: GEPDYQSQVLXLEU-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
119 SMILES: COC(=O)C=C(OP(=O)(OC)OC)C |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
120 NAME: Mevinphos |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
121 RETENTIONTIME: 2.876307 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
122 PRECURSORMZ: 225.0525 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
123 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
124 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
125 NUM PEAKS: 4 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
126 99.04416 295529.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
127 127.01563 1960973.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
128 193.02605 1150190.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
129 225.05209 101872.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
130 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
131 FORMULA: C5H12NO4PS |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
132 INCHIKEY: PZXOQEXFMJCDPG-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
133 SMILES: CN=C(CSP(=O)(OC)OC)O |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
134 NAME: Omethoate |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
135 RETENTIONTIME: 1.33423 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
136 PRECURSORMZ: 214.0303 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
137 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
138 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
139 NUM PEAKS: 5 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
140 104.01654 86844.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
141 124.98233 194375.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
142 127.01563 4696021.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
143 128.97701 47970.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
144 142.99275 4310988.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
145 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
146 FORMULA: C16H20O6P2S3 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
147 INCHIKEY: WWJZWCUNLNYYAU-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
148 SMILES: COP(=S)(Oc1ccc(cc1)Sc1ccc(cc1)OP(=S)(OC)OC)OC |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
149 NAME: Temephos |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
150 RETENTIONTIME: 7.736881 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
151 PRECURSORMZ: 466.9978 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
152 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
153 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
154 NUM PEAKS: 44 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
155 124.98233 218400.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
156 125.00596 124192.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
157 127.01563 590561.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
158 139.02167 79978.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
159 139.05467 105470.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
160 140.95975 428071.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
161 142.99275 7482486.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
162 154.99849 619650.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
163 157.00861 365474.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
164 171.02641 502869.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
165 172.03448 151150.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
166 183.02695 176056.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
167 184.03453 206568.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
168 187.02121 240339.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
169 199.02151 245544.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
170 200.02902 385101.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
171 201.03729 198527.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
172 211.03268 88063.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
173 215.01689 538632.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
174 217.03214 259530.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
175 218.98798 87371.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
176 219.02972 94609.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
177 230.99336 108101.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
178 232.03233 244260.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
179 233.00958 88058.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
180 247.02538 224924.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
181 248.03291 127038.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
182 261.98486 132283.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
183 262.99268 185876.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
184 264.00052 186556.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
185 278.98856 208891.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
186 293.00336 81563.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
187 293.99384 84250.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
188 294.96494 87413.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
189 296.99844 481380.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
190 298.0065 151600.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
191 311.01453 119733.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
192 313.01282 181581.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
193 327.99893 299098.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
194 341.00787 2218540.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
195 342.01566 293721.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
196 356.03104 227870.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
197 357.03922 75786.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
198 387.9765 125383.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
199 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
200 FORMULA: C4H8O4Cl3P |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
201 INCHIKEY: NFACJZMKEDPNKN-VKHMYHEASA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
202 SMILES: COP(=O)(C(C(Cl)(Cl)Cl)O)OC |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
203 NAME: Trichlorfon |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
204 RETENTIONTIME: 2.242985 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
205 PRECURSORMZ: 256.9308 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
206 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
207 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
208 NUM PEAKS: 4 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
209 93.01007 104589.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
210 97.00512 72293.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
211 112.99994 32292.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
212 127.01563 3150219.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
213 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
214 FORMULA: C8H18NO4PS2 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
215 INCHIKEY: LESVOLZBIFDZGS-ZETCQYMHSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
216 SMILES: CN=C(C(SCCSP(=O)(OC)OC)C)O |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
217 NAME: Vamidothion |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
218 RETENTIONTIME: 2.914602 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
219 PRECURSORMZ: 288.0491 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
220 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
221 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
222 NUM PEAKS: 3 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
223 118.03215 464396.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
224 146.06366 10321336.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
225 288.04907 1456244.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
226 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
227 FORMULA: C7H14N2O4S |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
228 INCHIKEY: YRRKLBAKDXSTNC-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
229 SMILES: CN=C(ON=CC(S(=O)(=O)C)(C)C)O |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
230 NAME: Aldicarb sulfone |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
231 RETENTIONTIME: 1.483623 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
232 PRECURSORMZ: 223.075 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
233 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
234 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
235 NUM PEAKS: 9 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
236 86.06018 763151.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
237 106.03234 330646.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
238 120.04782 16624.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
239 148.03964 11931.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
240 148.04301 1170924.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
241 166.05334 738329.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
242 208.9567 12192.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
243 223.06381 99297.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
244 223.07454 90546.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
245 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
246 FORMULA: C20H30N2O5S |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
247 INCHIKEY: FYZBOYWSHKHDMT-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
248 SMILES: CCOC(=O)CCN(C(C)C)SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
249 NAME: Benfuracarb |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
250 RETENTIONTIME: 7.163228 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
251 PRECURSORMZ: 411.1956 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
252 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
253 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
254 NUM PEAKS: 22 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
255 90.03748 30498.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
256 102.00096 69259.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
257 109.02874 31641.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
258 111.08049 29319.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
259 112.07591 44046.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
260 115.05431 43630.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
261 116.07085 30236.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
262 125.00558 53990.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
263 133.0649 58728.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
264 137.05998 23811.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
265 143.04921 51685.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
266 144.05734 107852.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
267 149.04198 61180.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
268 153.0369 175741.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
269 158.11797 70456.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
270 161.06012 99721.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
271 162.0676 971826.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
272 167.01654 45521.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
273 167.05246 131346.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
274 171.0114 23364.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
275 177.03709 172641.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
276 195.04765 2265269.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
277 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
278 FORMULA: C7H14N2O4S |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
279 INCHIKEY: CTJBHIROCMPUKL-HOITVRGQSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
280 SMILES: CN=C(ON=C(C(S(=O)(=O)C)C)C)O |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
281 NAME: Butoxycarboxim |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
282 RETENTIONTIME: 1.483623 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
283 PRECURSORMZ: 223.075 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
284 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
285 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
286 NUM PEAKS: 9 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
287 86.06018 763151.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
288 106.03234 330646.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
289 120.04782 16624.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
290 148.03964 11931.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
291 148.04301 1170924.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
292 166.05334 738329.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
293 208.9567 12192.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
294 223.06381 99297.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
295 223.07454 90546.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
296 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
297 FORMULA: C18H26N2O5S |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
298 INCHIKEY: HAWJXYBZNNRMNO-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
299 SMILES: CCCCOC(=O)N(SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C)C |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
300 NAME: Furathiocarb |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
301 RETENTIONTIME: 7.19165 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
302 PRECURSORMZ: 383.1642 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
303 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
304 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
305 NUM PEAKS: 49 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
306 87.02665 170322.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
307 90.03748 426298.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
308 91.05442 232061.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
309 95.04954 175219.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
310 97.01102 504855.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
311 105.0702 848188.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
312 107.04936 404555.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
313 107.08593 329012.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
314 109.02874 370826.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
315 109.0651 289619.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
316 111.0808 200502.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
317 115.05464 651489.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
318 116.06246 367386.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
319 117.07032 300497.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
320 118.07793 135317.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
321 121.06524 216247.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
322 122.03665 593314.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
323 123.04434 862460.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
324 125.00596 4842440.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
325 131.04935 572523.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
326 133.0649 1461373.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
327 134.01871 277355.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
328 134.07285 254631.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
329 135.08093 991426.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
330 137.05998 186090.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
331 139.02167 356706.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
332 139.05775 475631.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
333 143.04967 427124.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
334 144.05734 1163702.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
335 145.0649 273080.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
336 146.07314 822073.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
337 147.04451 460929.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
338 147.08089 234097.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
339 149.00584 154496.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
340 149.04247 1446405.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
341 149.06004 3536863.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
342 153.00082 192002.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
343 153.0374 1282857.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
344 161.06012 1492726.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
345 162.0676 9461931.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
346 163.07562 216378.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
347 164.08348 6924294.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
348 165.09103 228313.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
349 167.01654 354658.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
350 167.05304 10929155.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
351 171.0114 128914.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
352 177.03709 3978125.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
353 180.02414 213051.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
354 195.04765 11849349.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
355 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
356 FORMULA: C10H11N3OS |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
357 INCHIKEY: RRVIAQKBTUQODI-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
358 SMILES: CN=C(N(c1nc2c(s1)cccc2)C)O |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
359 NAME: Methabenzthiazuron |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
360 RETENTIONTIME: 6.711947 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
361 PRECURSORMZ: 222.0702 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
362 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
363 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
364 NUM PEAKS: 8 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
365 92.0498 456372.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
366 109.01102 367319.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
367 123.01394 375280.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
368 124.02193 2568680.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
369 132.06825 123566.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
370 150.02492 9399192.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
371 163.03316 152108.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
372 165.04836 9598566.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
373 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
374 FORMULA: C9H16N4OS |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
375 INCHIKEY: HBPDKDSFLXWOAE-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
376 SMILES: CN=C(N(c1nnc(s1)C(C)(C)C)C)O |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
377 NAME: Tebuthiuron |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
378 RETENTIONTIME: 4.241355 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
379 PRECURSORMZ: 229.1121 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
380 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
381 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
382 NUM PEAKS: 9 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
383 88.0219 230604.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
384 89.01719 2030070.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
385 101.04233 435137.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
386 116.0279 20609154.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
387 141.04826 319289.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
388 142.04346 1851694.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
389 156.05936 1133851.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
390 157.06721 6762498.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
391 172.09081 12592908.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
392 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
393 FORMULA: C9H8N4OS |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
394 INCHIKEY: HFCYZXMHUIHAQI-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
395 SMILES: OC(=Nc1ccccc1)Nc1cnns1 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
396 NAME: Thidiazuron |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
397 RETENTIONTIME: 4.909884 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
398 PRECURSORMZ: 221.0497 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
399 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
400 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
401 NUM PEAKS: 7 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
402 92.04957 154355.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
403 94.0652 188105.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
404 95.04929 172328.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
405 102.0123 2547264.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
406 105.04477 127605.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
407 120.04464 76344.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
408 127.99126 615346.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
409 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
410 FORMULA: C11H15NO2S |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
411 INCHIKEY: HEZNVIYQEUHLNI-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
412 SMILES: CCSCc1ccccc1OC(=NC)O |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
413 NAME: Ethiofencarb |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
414 RETENTIONTIME: 5.074083 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
415 PRECURSORMZ: 226.09 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
416 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
417 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
418 NUM PEAKS: 6 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
419 95.04929 42106.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
420 105.04477 32913.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
421 107.04936 243964.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
422 120.08101 4266.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
423 134.0966 5759.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
424 147.93529 2678.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
425 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
426 FORMULA: C11H15NO2S |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
427 INCHIKEY: YFBPRJGDJKVWAH-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
428 SMILES: CN=C(Oc1cc(C)c(c(c1)C)SC)O |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
429 NAME: Methiocarb |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
430 RETENTIONTIME: 6.352629 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
431 PRECURSORMZ: 226.0899 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
432 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
433 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
434 NUM PEAKS: 4 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
435 121.06488 799606.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
436 122.07284 96691.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
437 169.06853 4882474.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
438 226.08951 145633.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
439 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
440 FORMULA: C12H15NO3 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
441 INCHIKEY: DUEPRVBVGDRKAG-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
442 SMILES: CN=C(Oc1cccc2c1OC(C2)(C)C)O |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
443 NAME: Carbofuran |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
444 RETENTIONTIME: 4.14677 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
445 PRECURSORMZ: 222.1128 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
446 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
447 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
448 NUM PEAKS: 10 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
449 91.05442 804154.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
450 95.04929 737907.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
451 105.03379 225770.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
452 105.04506 153330.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
453 111.04436 105844.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
454 119.04944 164758.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
455 119.0857 227890.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
456 123.04434 10121862.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
457 137.05997 448261.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
458 147.08089 104307.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
459 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
460 FORMULA: C15H15N2O2Cl |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
461 INCHIKEY: IVUXTESCPZUGJC-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
462 SMILES: Clc1ccc(cc1)Oc1ccc(cc1)NC(=O)N(C)C |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
463 NAME: Chloroxuron |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
464 RETENTIONTIME: 6.824893 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
465 PRECURSORMZ: 291.09 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
466 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
467 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
468 NUM PEAKS: 34 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
469 94.04169 27706.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
470 98.99973 58512.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
471 106.06546 243512.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
472 118.06519 562204.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
473 119.07315 45536.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
474 120.081 78773.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
475 126.99488 83528.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
476 128.06239 310868.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
477 129.01042 87060.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
478 139.00583 288886.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
479 145.0649 99810.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
480 146.06033 24021.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
481 147.06796 35662.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
482 149.01559 36207.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
483 152.00261 21619.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
484 154.06534 101982.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
485 155.06065 198243.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
486 155.07309 108829.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
487 163.03091 1196885.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
488 163.08679 138657.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
489 164.09476 19883.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
490 168.05711 61850.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
491 173.50755 33783.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
492 175.03131 42262.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
493 182.05989 34322.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
494 183.06813 160230.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
495 190.04181 279261.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
496 191.02574 49125.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
497 211.06313 28451.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
498 218.03699 1977628.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
499 219.04449 20961.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
500 233.15379 75598.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
501 246.03224 40845.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
502 249.18484 96150.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
503 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
504 FORMULA: C10H13N2OCl |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
505 INCHIKEY: JXCGFZXSOMJFOA-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
506 SMILES: OC(=Nc1ccc(c(c1)Cl)C)N(C)C |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
507 NAME: Chlortoluron |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
508 RETENTIONTIME: 5.193264 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
509 PRECURSORMZ: 213.0795 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
510 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
511 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
512 NUM PEAKS: 14 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
513 89.03883 57032.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
514 95.04929 125786.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
515 96.04461 17062.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
516 98.99973 31149.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
517 104.04956 355337.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
518 105.04477 72262.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
519 105.05748 49060.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
520 113.01541 282031.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
521 125.01533 380427.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
522 132.04463 44913.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
523 133.05254 86668.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
524 140.02612 1662428.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
525 153.02165 91587.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
526 168.02145 83345.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
527 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
528 FORMULA: C11H22N2O |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
529 INCHIKEY: DQZCVNGCTZLGAQ-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
530 SMILES: CN(C(=NC1CCCCCCC1)O)C |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
531 NAME: Cycluron |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
532 RETENTIONTIME: 5.00998 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
533 PRECURSORMZ: 199.1809 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
534 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
535 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
536 NUM PEAKS: 4 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
537 89.07108 1303776.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
538 111.11694 18709.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
539 147.92079 14411.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
540 147.93768 15209.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
541 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
542 FORMULA: C14H21NO4 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
543 INCHIKEY: LNJNFVJKDJYTEU-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
544 SMILES: CCOc1cc(ccc1OCC)N=C(OC(C)C)O |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
545 NAME: Diethofencarb |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
546 RETENTIONTIME: 6.124817 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
547 PRECURSORMZ: 268.1547 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
548 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
549 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
550 NUM PEAKS: 7 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
551 152.07103 98482.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
552 180.06563 117586.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
553 180.10194 441784.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
554 198.0762 507187.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
555 208.09682 172166.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
556 226.10776 6612320.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
557 268.15411 115526.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
558 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
559 FORMULA: C14H9N2O2ClF2 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
560 INCHIKEY: QQQYTWIFVNKMRW-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
561 SMILES: O=C(Nc1ccc(cc1)Cl)N=C(c1c(F)cccc1F)O |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
562 NAME: Diflubenzuron |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
563 RETENTIONTIME: 6.959446 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
564 PRECURSORMZ: 311.0396 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
565 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
566 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
567 NUM PEAKS: 3 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
568 141.01498 340685.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
569 158.04167 9035608.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
570 311.03952 2283440.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
571 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
572 FORMULA: C9H10N2OCl2 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
573 INCHIKEY: XMTQQYYKAHVGBJ-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
574 SMILES: OC(=Nc1ccc(c(c1)Cl)Cl)N(C)C |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
575 NAME: Diuron |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
576 RETENTIONTIME: 5.711479 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
577 PRECURSORMZ: 233.0248 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
578 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
579 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
580 NUM PEAKS: 8 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
581 123.99487 30141.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
582 125.00295 82231.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
583 132.96072 233186.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
584 151.03258 25890.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
585 152.99777 66942.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
586 159.97182 940217.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
587 172.96721 73012.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
588 187.96654 38425.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
589 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
590 FORMULA: C11H13NO4 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
591 INCHIKEY: SDKQRNRRDYRQKY-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
592 SMILES: CN=C(Oc1ccccc1C1OCCO1)O |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
593 NAME: Dioxacarb |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
594 RETENTIONTIME: 2.808769 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
595 PRECURSORMZ: 224.092 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
596 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
597 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
598 NUM PEAKS: 6 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
599 95.04929 26554.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
600 123.04434 805609.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
601 162.05486 264649.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
602 167.07042 1519113.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
603 208.95668 21966.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
604 224.12801 18664.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
605 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
606 FORMULA: C11H13NO4 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
607 INCHIKEY: XEGGRYVFLWGFHI-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
608 SMILES: CN=C(Oc1cccc2c1OC(O2)(C)C)O |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
609 NAME: Bendiocarb |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
610 RETENTIONTIME: 4.036841 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
611 PRECURSORMZ: 224.092 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
612 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
613 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
614 NUM PEAKS: 4 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
615 109.02843 576717.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
616 167.07042 2075283.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
617 224.092 50305.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
618 224.12801 22894.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
619 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
620 FORMULA: C12H17NO2 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
621 INCHIKEY: DIRFUJHNVNOBMY-VIFPVBQESA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
622 SMILES: CCC(c1ccccc1OC(=NC)O)C |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
623 NAME: Fenobucarb |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
624 RETENTIONTIME: 5.279047 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
625 PRECURSORMZ: 208.1339 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
626 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
627 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
628 NUM PEAKS: 5 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
629 95.04929 2304002.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
630 151.1118 339052.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
631 152.07103 1283617.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
632 208.13309 261671.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
633 208.15242 67196.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
634 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
635 FORMULA: C21H11N2O3ClF6 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
636 INCHIKEY: RYLHNOVXKPXDIP-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
637 SMILES: OC(=Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F)N=C(c1c(F)cccc1F)O |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
638 NAME: Flufenoxuron |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
639 RETENTIONTIME: 7.258582 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
640 PRECURSORMZ: 489.044 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
641 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
642 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
643 NUM PEAKS: 9 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
644 140.03102 198040.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
645 141.01498 8731300.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
646 141.02489 125031.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
647 158.04167 5469943.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
648 306.03055 226666.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
649 326.76685 460767.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
650 328.76389 301405.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
651 407.68225 401379.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
652 409.68002 103253.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
653 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
654 FORMULA: C10H11N2OF3 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
655 INCHIKEY: RZILCCPWPBTYDO-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
656 SMILES: OC(=Nc1cccc(c1)C(F)(F)F)N(C)C |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
657 NAME: Fluometuron |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
658 RETENTIONTIME: 4.295248 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
659 PRECURSORMZ: 233.0903 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
660 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
661 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
662 NUM PEAKS: 14 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
663 133.02617 72647.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
664 140.03056 412576.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
665 141.02579 30382.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
666 145.02599 1001995.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
667 148.03093 43335.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
668 160.03375 16242.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
669 160.037 1435798.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
670 163.0365 19807.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
671 168.02554 576288.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
672 173.03194 272722.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
673 173.50755 34131.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
674 178.04784 113811.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
675 188.03226 109696.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
676 192.06305 82452.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
677 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
678 FORMULA: C12H10N3OCl |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
679 INCHIKEY: GPXLRLUVLMHHIK-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
680 SMILES: OC(=Nc1ccccc1)Nc1ccnc(c1)Cl |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
681 NAME: Forchlorfenuron |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
682 RETENTIONTIME: 6.068144 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
683 PRECURSORMZ: 248.0593 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
684 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
685 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
686 NUM PEAKS: 6 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
687 93.04498 1144138.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
688 94.06544 222850.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
689 111.05567 15214406.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
690 129.02182 20609304.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
691 137.03458 1954463.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
692 155.00107 2962225.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
693 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
694 FORMULA: C12H15NO4 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
695 INCHIKEY: RHSUJRQZTQNSLL-JTQLQIEISA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
696 SMILES: CN=C(Oc1cccc2c1OC(C2O)(C)C)O |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
697 NAME: 3-Hydroxycarbofuran |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
698 RETENTIONTIME: 2.534817 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
699 PRECURSORMZ: 238.1075 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
700 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
701 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
702 NUM PEAKS: 7 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
703 135.08051 61121.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
704 163.07562 1270756.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
705 181.08611 3459316.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
706 207.06541 67306.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
707 208.95668 38515.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
708 220.09669 446913.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
709 238.10802 398788.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
710 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
711 FORMULA: C22H17N3O7ClF3 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
712 INCHIKEY: VBCVPMMZEGZULK-NRFANRHFSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
713 SMILES: COC(=O)N(C(=O)N1COC2(C(=N1)c1ccc(cc1C2)Cl)C(=O)OC)c1ccc(cc1)OC(F)(F)F |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
714 NAME: Indoxacarb |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
715 RETENTIONTIME: 7.23968 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
716 PRECURSORMZ: 528.0795 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
717 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
718 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
719 NUM PEAKS: 38 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
720 104.04956 303700.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
721 127.04175 99545.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
722 128.06201 117126.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
723 132.04463 290691.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
724 134.0237 264912.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
725 137.0152 94534.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
726 142.06526 75186.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
727 149.01559 214826.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
728 150.0106 1405054.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
729 155.06065 232073.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
730 160.05058 254333.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
731 162.01057 1521152.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
732 163.01862 86648.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
733 163.03091 132653.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
734 164.02652 208730.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
735 165.03412 90438.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
736 167.0258 357529.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
737 168.02145 1690027.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
738 174.99464 101678.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
739 177.01054 92638.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
740 177.03394 231314.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
741 179.02611 358184.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
742 180.02089 413839.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
743 182.03682 119810.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
744 189.02151 643960.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
745 190.00526 1446936.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
746 190.04744 486518.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
747 194.03688 93119.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
748 195.02061 551503.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
749 203.01863 7362278.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
750 204.00897 308332.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
751 207.02065 269934.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
752 208.01628 221573.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
753 215.04312 81774.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
754 217.01668 489943.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
755 218.04218 536326.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
756 219.03232 457473.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
757 223.01553 87858.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
758 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
759 FORMULA: C18H28N2O3 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
760 INCHIKEY: NWUWYYSKZYIQAE-WMCAAGNKSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
761 SMILES: CC(OC(=NC(C(=NC(c1ccc(cc1)C)C)O)C(C)C)O)C |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
762 NAME: Iprovalicarb |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
763 RETENTIONTIME: 6.291288 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
764 PRECURSORMZ: 321.218 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
765 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
766 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
767 NUM PEAKS: 9 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
768 116.07085 2061421.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
769 117.10262 213026.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
770 119.0857 8088768.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
771 144.06569 976637.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
772 158.11795 349762.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
773 161.09248 110448.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
774 186.11298 1809182.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
775 203.13902 3619220.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
776 321.21719 658523.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
777 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
778 FORMULA: C12H18N2O |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
779 INCHIKEY: PUIYMUZLKQOUOZ-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
780 SMILES: O=C(N(C)C)Nc1ccc(cc1)C(C)C |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
781 NAME: Isoproturon |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
782 RETENTIONTIME: 4.953308 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
783 PRECURSORMZ: 207.1494 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
784 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
785 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
786 NUM PEAKS: 27 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
787 91.05442 804905.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
788 92.04957 254047.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
789 93.0575 33128.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
790 93.07003 116103.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
791 94.06519 63492.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
792 95.04929 164116.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
793 103.05439 51947.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
794 104.0621 43995.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
795 105.04477 78368.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
796 105.06991 101627.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
797 106.06517 86652.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
798 107.08415 19657.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
799 107.08563 575392.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
800 108.08108 26529.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
801 109.0651 34575.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
802 115.05431 109513.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
803 117.06998 312366.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
804 118.06519 123299.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
805 119.0606 36796.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
806 119.07315 606574.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
807 120.04464 242145.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
808 132.08089 72884.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
809 134.0966 1730390.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
810 137.09615 58215.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
811 147.0919 129941.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
812 162.09142 42617.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
813 165.10242 74899.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
814 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
815 FORMULA: C9H10N2O2Cl2 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
816 INCHIKEY: XKJMBINCVNINCA-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
817 SMILES: CON(C(=Nc1ccc(c(c1)Cl)Cl)O)C |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
818 NAME: Linuron |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
819 RETENTIONTIME: 6.428301 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
820 PRECURSORMZ: 249.0202 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
821 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
822 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
823 NUM PEAKS: 17 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
824 123.99524 160993.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
825 125.00295 934482.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
826 126.01085 53171.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
827 127.0187 34132.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
828 132.96072 2098030.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
829 133.96875 42332.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
830 142.00574 58394.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
831 153.02165 907640.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
832 154.02942 31975.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
833 159.97182 1453641.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
834 160.97951 1564652.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
835 165.02161 76894.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
836 167.0009 34764.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
837 173.98759 32777.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
838 181.0168 457538.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
839 182.02429 570846.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
840 216.99352 182540.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
841 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
842 FORMULA: C9H11N2O2Br |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
843 INCHIKEY: WLFDQEVORAMCIM-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
844 SMILES: CON(C(=O)Nc1ccc(cc1)Br)C |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
845 NAME: Metobromuron |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
846 RETENTIONTIME: 5.555997 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
847 PRECURSORMZ: 259.0081 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
848 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
849 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
850 NUM PEAKS: 15 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
851 90.03403 60649.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
852 91.04183 2389714.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
853 92.04957 214805.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
854 93.0575 47461.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
855 110.06014 105724.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
856 119.0606 1438162.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
857 120.06829 52547.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
858 131.06062 84354.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
859 142.94916 1281698.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
860 147.05553 745419.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
861 148.06332 717928.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
862 169.95995 3654354.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
863 170.96819 2866842.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
864 183.97557 70285.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
865 226.98169 352678.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
866 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
867 FORMULA: C9H11N2O2Cl |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
868 INCHIKEY: LKJPSUCKSLORMF-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
869 SMILES: CON(C(=O)Nc1ccc(cc1)Cl)C |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
870 NAME: Monolinuron |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
871 RETENTIONTIME: 5.086284 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
872 PRECURSORMZ: 215.0587 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
873 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
874 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
875 NUM PEAKS: 16 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
876 90.03403 245033.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
877 91.04183 266487.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
878 92.0498 149734.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
879 93.0575 65470.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
880 98.99973 5081895.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
881 100.00744 171810.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
882 119.0606 1725493.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
883 120.06829 76212.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
884 126.01085 4292995.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
885 127.01831 4179362.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
886 131.06062 91755.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
887 140.02657 95768.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
888 141.02174 52283.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
889 147.05553 873918.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
890 148.06332 1071865.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
891 183.03224 448058.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
892 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
893 FORMULA: C17H19NO4 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
894 INCHIKEY: HJUFTIJOISQSKQ-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
895 SMILES: CCOC(=NCCOc1ccc(cc1)Oc1ccccc1)O |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
896 NAME: Fenoxycarb |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
897 RETENTIONTIME: 7.007411 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
898 PRECURSORMZ: 302.1392 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
899 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
900 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
901 NUM PEAKS: 4 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
902 88.03963 3398675.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
903 116.07085 7870537.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
904 256.09756 3714539.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
905 302.13986 4154405.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
906 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
907 FORMULA: C9H12N2O |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
908 INCHIKEY: XXOYNJXVWVNOOJ-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
909 SMILES: CN(C(=Nc1ccccc1)O)C |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
910 NAME: Fenuron |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
911 RETENTIONTIME: 2.603287 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
912 PRECURSORMZ: 165.1026 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
913 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
914 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
915 NUM PEAKS: 8 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
916 90.94795 13666.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
917 92.04957 465012.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
918 93.0575 10288.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
919 95.0478 10698.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
920 95.04929 620773.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
921 104.96333 7099.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
922 105.04477 391134.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
923 120.04464 89335.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
924 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
925 FORMULA: C11H15NO2 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
926 INCHIKEY: QBSJMKIUCUGGNG-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
927 SMILES: CN=C(Oc1ccccc1C(C)C)O |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
928 NAME: Isoprocarb |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
929 RETENTIONTIME: 4.552796 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
930 PRECURSORMZ: 194.1181 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
931 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
932 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
933 NUM PEAKS: 4 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
934 95.04929 1741248.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
935 137.09615 1255669.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
936 152.07103 658146.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
937 194.11743 393850.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
938 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
939 FORMULA: C19H18N3O4Cl |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
940 INCHIKEY: HZRSNVGNWUDEFX-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
941 SMILES: COC(=O)N(c1ccccc1COc1ccn(n1)c1ccc(cc1)Cl)OC |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
942 NAME: Pyraclostrobin |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
943 RETENTIONTIME: 7.421628 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
944 PRECURSORMZ: 388.107 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
945 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
946 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
947 NUM PEAKS: 11 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
948 162.0554 983545.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
949 163.06332 1950324.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
950 164.07108 4818863.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
951 194.08186 23217608.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
952 296.05423 282175.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
953 296.05969 5986147.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
954 324.05402 1024635.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
955 356.07611 701579.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
956 356.08151 2958382.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
957 357.08807 317478.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
958 388.10776 6476718.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
959 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
960 FORMULA: C14H20N2O |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
961 INCHIKEY: JXVIIQLNUPXOII-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
962 SMILES: CC1CCCCC1NC(=Nc1ccccc1)O |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
963 NAME: Siduron_1 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
964 RETENTIONTIME: 5.922128 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
965 PRECURSORMZ: 233.1652 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
966 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
967 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
968 NUM PEAKS: 8 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
969 92.0498 933541.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
970 93.0575 170423.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
971 94.06544 14211722.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
972 95.04929 2073643.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
973 97.10134 599721.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
974 105.04506 1075144.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
975 120.04464 1602718.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
976 137.07117 1760320.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
977 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
978 FORMULA: C14H20N2O |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
979 INCHIKEY: JXVIIQLNUPXOII-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
980 SMILES: CC1CCCCC1NC(=Nc1ccccc1)O |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
981 NAME: Siduron_2 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
982 RETENTIONTIME: 6.048454 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
983 PRECURSORMZ: 233.1654 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
984 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
985 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
986 NUM PEAKS: 8 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
987 92.04957 227079.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
988 93.0575 48287.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
989 94.06519 3308508.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
990 95.04929 491391.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
991 97.10134 147324.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
992 105.04477 331107.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
993 120.04464 414038.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
994 137.07117 494688.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
995 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
996 FORMULA: C12H16NOClS |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
997 INCHIKEY: QHTQREMOGMZHJV-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
998 SMILES: CCN(C(=O)SCc1ccc(cc1)Cl)CC |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
999 NAME: Thiobencarb |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1000 RETENTIONTIME: 7.094566 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1001 PRECURSORMZ: 258.0717 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1002 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1003 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1004 NUM PEAKS: 3 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1005 89.03883 1114558.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1006 98.99973 585236.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1007 125.01533 28327212.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1008 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1009 FORMULA: C15H10N2O3ClF3 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1010 INCHIKEY: XAIPTRIXGHTTNT-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1011 SMILES: O=C(N=C(c1ccccc1Cl)O)Nc1ccc(cc1)OC(F)(F)F |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1012 NAME: Triflumuron |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1013 RETENTIONTIME: 6.978649 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1014 PRECURSORMZ: 359.0412 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1015 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1016 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1017 NUM PEAKS: 7 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1018 113.01541 658622.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1019 129.01042 138249.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1020 138.011 140957.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1021 138.99484 9851099.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1022 139.00452 474854.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1023 156.02116 3353307.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1024 178.04784 200379.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1025 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1026 FORMULA: C10H13NO2 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1027 INCHIKEY: VXPLXMJHHKHSOA-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1028 SMILES: CC(OC(=Nc1ccccc1)O)C |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1029 NAME: Propham |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1030 RETENTIONTIME: 6.134321 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1031 PRECURSORMZ: 180.1022 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1032 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1033 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1034 NUM PEAKS: 13 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1035 91.05442 8291.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1036 93.0575 2806.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1037 95.04929 8647.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1038 96.04461 67785.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1039 97.02845 206258.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1040 105.0335 4841.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1041 105.04477 6538.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1042 106.02882 185730.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1043 109.02843 2611.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1044 117.0574 2236.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1045 124.03935 187312.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1046 134.0237 14609.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1047 152.0343 3135.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1048 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1049 FORMULA: C11H15NO3 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1050 INCHIKEY: ISRUGXGCCGIOQO-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1051 SMILES: CN=C(Oc1ccccc1OC(C)C)O |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1052 NAME: Propoxur |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1053 RETENTIONTIME: 3.894733 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1054 PRECURSORMZ: 210.1129 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1055 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1056 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1057 NUM PEAKS: 6 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1058 93.03366 11976.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1059 111.04436 1112660.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1060 153.09126 254920.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1061 168.06589 785437.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1062 199.97662 26875.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1063 210.11256 38244.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1064 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1065 FORMULA: C12H16N2OCl2 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1066 INCHIKEY: CCGPUGMWYLICGL-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1067 SMILES: CCCCN(C(=Nc1ccc(c(c1)Cl)Cl)O)C |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1068 NAME: Neburon |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1069 RETENTIONTIME: 6.834164 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1070 PRECURSORMZ: 275.0721 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1071 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1072 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1073 NUM PEAKS: 12 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1074 88.11217 614563.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1075 114.09161 31817.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1076 123.99487 30163.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1077 125.00258 66386.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1078 127.01831 315476.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1079 132.96072 198326.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1080 152.99777 149347.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1081 159.97182 1502459.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1082 161.98734 127589.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1083 172.9666 45053.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1084 173.50816 20256.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1085 187.96652 106090.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1086 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1087 FORMULA: C11H18N4O2 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1088 INCHIKEY: YFGYUFNIOHWBOB-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1089 SMILES: CN(C(=O)Oc1nc(nc(c1C)C)N(C)C)C |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1090 NAME: Pirimicarb |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1091 RETENTIONTIME: 2.886323 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1092 PRECURSORMZ: 239.1508 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1093 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1094 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1095 NUM PEAKS: 16 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1096 85.07622 1062158.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1097 94.05271 17085.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1098 109.07641 1234692.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1099 123.0557 18419.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1100 124.06345 155955.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1101 137.07117 726268.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1102 138.0789 659866.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1103 139.08681 37108.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1104 150.10287 446134.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1105 152.08211 433568.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1106 166.09756 38582.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1107 167.10577 250650.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1108 168.11327 14402.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1109 180.11363 53047.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1110 182.12914 1046026.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1111 195.16029 68565.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1112 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1113 FORMULA: C12H17NO2 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1114 INCHIKEY: DTAPQAJKAFRNJB-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1115 SMILES: CN=C(Oc1cc(C)cc(c1)C(C)C)O |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1116 NAME: Promecarb |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1117 RETENTIONTIME: 5.65392 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1118 PRECURSORMZ: 208.1339 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1119 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1120 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1121 NUM PEAKS: 3 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1122 109.0651 1911986.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1123 151.1118 3833728.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1124 208.13309 173991.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1125 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1126 FORMULA: C9H17N5S |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1127 INCHIKEY: RQVYBGPQFYCBGX-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1128 SMILES: CCN=c1nc(SC)[nH]c(=NC(C)C)[nH]1 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1129 NAME: Ametryn |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1130 RETENTIONTIME: 4.38309 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1131 PRECURSORMZ: 228.1282 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1132 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1133 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1134 NUM PEAKS: 15 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1135 85.05116 494786.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1136 91.03273 2410460.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1137 96.05421 57071.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1138 96.05572 4102907.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1139 102.03746 125646.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1140 110.04619 527391.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1141 113.08218 433234.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1142 116.0279 3479269.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1143 138.07761 1659836.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1144 140.09331 43027.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1145 144.05919 1428619.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1146 158.04967 1355067.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1147 184.06534 61690.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1148 186.08095 4152044.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1149 228.12772 94575.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1150 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1151 FORMULA: C22H17N3O5 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1152 INCHIKEY: WFDXOXNFNRHQEC-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1153 SMILES: COC=C(c1ccccc1Oc1ncnc(c1)Oc1ccccc1C#N)C(=O)OC |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1154 NAME: Azoxystrobin |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1155 RETENTIONTIME: 6.9269 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1156 PRECURSORMZ: 404.1249 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1157 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1158 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1159 NUM PEAKS: 46 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1160 120.04499 298934.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1161 129.04543 475852.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1162 130.0406 263606.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1163 133.05293 386291.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1164 134.06076 1413032.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1165 141.04556 164042.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1166 143.06114 793237.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1167 145.02927 438571.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1168 145.0527 469026.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1169 155.06116 174099.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1170 156.04523 1265874.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1171 169.04019 657911.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1172 170.04799 171763.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1173 171.03239 360415.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1174 171.05582 571918.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1175 172.03992 1796369.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1176 173.04782 282353.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1177 177.05542 349400.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1178 182.04868 292236.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1179 182.0724 305597.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1180 183.05617 4029271.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1181 199.05089 723420.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1182 200.03506 1025293.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1183 201.04263 1807636.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1184 201.06636 510108.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1185 210.04311 1974682.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1186 210.0668 342264.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1187 211.05078 355209.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1188 216.06657 1168439.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1189 246.07988 182890.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1190 272.0834 1282380.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1191 273.06769 795436.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1192 273.0907 1168355.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1193 274.07443 221912.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1194 275.08304 260482.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1195 287.08322 453884.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1196 288.06744 172169.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1197 300.07855 1244681.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1198 301.08551 3241347.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1199 312.07855 219216.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1200 315.10245 205186.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1201 316.10916 292099.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1202 328.07382 3766201.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1203 329.08087 15964814.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1204 344.10461 2718360.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1205 372.10004 167044.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1206 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1207 FORMULA: C20H23NO3 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1208 INCHIKEY: CJPQIRJHIZUAQP-INIZCTEOSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1209 SMILES: COC(=O)C(N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1210 NAME: Benalaxyl |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1211 RETENTIONTIME: 7.079875 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1212 PRECURSORMZ: 326.1756 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1213 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1214 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1215 NUM PEAKS: 8 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1216 91.05441 11560916.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1217 105.0702 367839.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1218 106.06546 647312.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1219 120.081 385637.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1220 121.08883 11501126.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1221 122.09673 517871.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1222 133.08878 546024.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1223 148.11217 23207426.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1224 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1225 FORMULA: C18H12N2OCl2 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1226 INCHIKEY: WYEMLYFITZORAB-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1227 SMILES: Clc1ccc(cc1)c1ccccc1N=C(c1cccnc1Cl)O |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1228 NAME: Boscalid |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1229 RETENTIONTIME: 6.811709 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1230 PRECURSORMZ: 343.0408 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1231 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1232 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1233 NUM PEAKS: 27 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1234 96.04461 588528.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1235 111.99506 131288.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1236 112.03961 562594.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1237 114.01087 183518.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1238 130.00558 256565.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1239 139.99011 1220289.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1240 152.06248 66998.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1241 216.08105 60699.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1242 227.07349 93814.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1243 228.08148 96430.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1244 229.08876 93365.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1245 230.03716 77307.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1246 238.04195 58994.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1247 242.08464 181011.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1248 243.09259 680474.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1249 244.09969 317520.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1250 253.07672 424600.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1251 254.08458 657164.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1252 264.05807 118437.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1253 270.07944 187992.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1254 271.08762 5868577.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1255 272.09424 5476461.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1256 279.0686 68522.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1257 289.05276 1245064.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1258 305.04871 107573.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1259 306.05643 72921.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1260 307.06335 2958245.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1261 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1262 FORMULA: C12H16N2O3 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1263 INCHIKEY: AMRQXHFXNZFDCH-VIFPVBQESA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1264 SMILES: CCN=C(C(OC(=Nc1ccccc1)O)C)O |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1265 NAME: Carbetamide |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1266 RETENTIONTIME: 3.923062 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1267 PRECURSORMZ: 237.1238 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1268 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1269 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1270 NUM PEAKS: 12 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1271 85.07622 86855.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1272 100.07591 86451.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1273 118.08654 1614784.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1274 120.04464 757563.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1275 126.01047 99599.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1276 138.05496 54640.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1277 144.06567 88684.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1278 164.0705 45687.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1279 192.0659 2143350.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1280 237.07993 102575.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1281 237.09068 314588.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1282 237.12401 187935.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1283 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1284 FORMULA: C15H14N3O3Cl2F3 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1285 INCHIKEY: MLKCGVHIFJBRCD-JTQLQIEISA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1286 SMILES: CCOC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1287 NAME: Carfentrazone ethyl |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1288 RETENTIONTIME: 6.898515 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1289 PRECURSORMZ: 412.045 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1290 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1291 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1292 NUM PEAKS: 75 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1293 87.03558 102938.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1294 92.03108 108928.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1295 140.99028 93612.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1296 168.00159 290200.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1297 168.98535 256214.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1298 169.00954 280404.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1299 169.99326 139258.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1300 176.0387 59605.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1301 176.96758 2472383.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1302 183.0123 267100.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1303 183.99632 81664.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1304 186.01216 91455.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1305 194.98845 136592.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1306 195.99637 326492.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1307 197.00471 52605.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1308 201.9623 154634.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1309 203.97847 447264.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1310 204.96245 1832179.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1311 206.02895 92544.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1312 207.03662 171674.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1313 209.02803 384802.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1314 209.99982 113563.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1315 211.00719 472507.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1316 212.01517 66934.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1317 213.00288 312895.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1318 214.01096 51013.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1319 215.02534 55407.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1320 220.9915 95557.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1321 221.97609 58129.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1322 222.00006 181469.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1323 223.00748 74723.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1324 223.9912 1241221.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1325 226.03568 99992.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1326 227.98999 56867.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1327 228.9734 154659.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1328 228.99759 849754.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1329 229.9576 291454.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1330 230.96507 364210.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1331 231.97353 309882.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1332 232.98094 634253.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1333 233.00957 190835.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1334 233.99303 64478.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1335 236.01566 50291.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1336 239.00291 79639.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1337 240.99757 4112806.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1338 242.00581 1279056.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1339 246.98367 100821.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1340 248.98016 83634.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1341 248.9865 48588.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1342 249.9944 112801.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1343 251.02658 84213.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1344 252.03403 720952.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1345 256.96869 464576.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1346 257.95212 120792.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1347 258.96021 600062.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1348 261.00433 486923.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1349 268.00449 56951.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1350 268.99277 70677.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1351 270.00082 107703.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1352 270.98462 439596.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1353 274.97897 367619.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1354 276.97476 4577284.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1355 280.02945 127558.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1356 282.0246 396042.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1357 284.96323 117220.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1358 288.01102 1894072.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1359 290.03122 319337.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1360 298.97946 85527.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1361 302.03137 2921622.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1362 303.0383 181158.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1363 316.00662 372285.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1364 318.00153 484008.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1365 320.04153 58056.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1366 338.00775 410316.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1367 345.99677 2618042.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1368 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1369 FORMULA: C18H14N5O2BrCl2 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1370 INCHIKEY: PSOVNZZNOMJUBI-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1371 SMILES: CN=C(c1cc(C)cc(c1N=C(c1cc(nn1c1ncccc1Cl)Br)O)Cl)O |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1372 NAME: Chlorantraniliprole |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1373 RETENTIONTIME: 6.589343 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1374 PRECURSORMZ: 481.9785 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1375 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1376 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1377 NUM PEAKS: 4 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1378 283.92297 5735542.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1379 450.93774 4907420.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1380 463.96796 71876.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1381 481.97949 1501231.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1382 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1383 FORMULA: C14H8N4Cl2 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1384 INCHIKEY: UXADOQPNKNTIHB-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1385 SMILES: Clc1ccccc1c1nnc(nn1)c1ccccc1Cl |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1386 NAME: Clofentezine |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1387 RETENTIONTIME: 7.397017 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1388 PRECURSORMZ: 303.0207 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1389 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1390 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1391 NUM PEAKS: 5 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1392 92.0498 44376.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1393 102.03414 382179.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1394 120.04463 495630.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1395 130.04021 2783936.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1396 138.01057 2494447.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1397 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1398 FORMULA: C14H15N3 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1399 INCHIKEY: HAORKNGNJCEJBX-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1400 SMILES: Cc1nc(Nc2ccccc2)nc(c1)C1CC1 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1401 NAME: Cyprodinil |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1402 RETENTIONTIME: 6.669806 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1403 PRECURSORMZ: 226.1346 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1404 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1405 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1406 NUM PEAKS: 68 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1407 89.03882 250501.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1408 91.05441 2917894.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1409 92.0498 1832571.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1410 92.06236 327913.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1411 93.0575 7935048.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1412 94.06544 551055.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1413 95.04928 1106686.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1414 104.04984 578815.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1415 105.04505 751939.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1416 106.06546 3348979.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1417 107.07314 366893.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1418 108.06842 996581.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1419 108.08108 5293585.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1420 109.0761 435067.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1421 110.06014 373109.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1422 115.0543 340655.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1423 116.0497 1136768.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1424 117.0574 936588.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1425 118.05279 3491518.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1426 118.06519 1243941.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1427 119.06059 3591314.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1428 123.09197 364628.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1429 124.07606 563904.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1430 130.06528 192669.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1431 131.06062 1377516.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1432 132.06825 1932161.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1433 133.07642 3211678.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1434 134.06033 753709.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1435 142.06525 584454.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1436 143.06068 1778669.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1437 143.07307 279220.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1438 144.05594 191195.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1439 144.08099 2104332.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1440 145.07616 882365.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1441 149.07127 251299.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1442 156.06825 169085.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1443 157.0762 329957.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1444 158.0838 181590.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1445 159.09198 963940.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1446 165.06998 303199.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1447 167.06058 287846.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1448 167.07332 1087973.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1449 168.06824 523675.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1450 168.08109 896186.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1451 169.07619 575896.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1452 170.0843 204211.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1453 171.09184 238779.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1454 181.07629 410526.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1455 182.08427 540213.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1456 182.09682 243307.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1457 183.07944 619682.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1458 183.09206 583441.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1459 184.08746 1461784.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1460 185.10789 904319.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1461 191.07323 180652.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1462 193.07642 1237200.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1463 194.08405 2240403.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1464 196.08698 270421.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1465 197.09528 430359.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1466 198.10313 664506.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1467 199.11044 212040.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1468 207.0918 1191559.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1469 208.10004 666594.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1470 209.10754 1644491.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1471 210.10275 4134248.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1472 211.11086 699261.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1473 224.1181 912227.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1474 226.13422 16374867.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1475 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1476 FORMULA: C6H10N6 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1477 INCHIKEY: LVQDKIWDGQRHTE-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1478 SMILES: N=c1[nH]c(=NC2CC2)[nH]c(=N)[nH]1 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1479 NAME: Cyromazine_1 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1480 RETENTIONTIME: 0.7250975 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1481 PRECURSORMZ: 167.1043 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1482 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1483 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1484 NUM PEAKS: 9 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1485 85.05116 569181.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1486 108.05576 364390.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1487 110.0462 49797.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1488 125.08251 178192.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1489 127.07288 24861.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1490 139.07271 33973.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1491 150.0777 7345.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1492 151.07292 35146.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1493 167.10403 54669.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1494 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1495 FORMULA: C6H10N6 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1496 INCHIKEY: LVQDKIWDGQRHTE-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1497 SMILES: N=c1[nH]c(=NC2CC2)[nH]c(=N)[nH]1 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1498 NAME: Cyromazine_2 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1499 RETENTIONTIME: 1.057777 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1500 PRECURSORMZ: 167.1043 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1501 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1502 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1503 NUM PEAKS: 12 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1504 85.05095 323769.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1505 100.08693 5287.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1506 108.05576 223896.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1507 110.0462 30873.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1508 112.06189 4105.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1509 125.08213 95867.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1510 127.07288 11228.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1511 139.07271 22781.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1512 150.0777 3986.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1513 151.07292 16833.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1514 155.01868 3272.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1515 167.10403 33800.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1516 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1517 FORMULA: C19H22N2O3 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1518 INCHIKEY: WXUZAHCNPWONDH-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1519 SMILES: CON=C(c1ccccc1COc1cc(C)ccc1C)C(=NC)O |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1520 NAME: Dimoxystrobin |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1521 RETENTIONTIME: 7.042906 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1522 PRECURSORMZ: 327.1716 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1523 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1524 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1525 NUM PEAKS: 25 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1526 89.03882 267042.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1527 91.05465 1177860.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1528 92.05786 587003.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1529 106.06546 63219.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1530 116.0497 4287725.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1531 117.0574 207058.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1532 118.06553 62777.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1533 121.06523 72575.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1534 121.08883 992075.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1535 122.09238 613096.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1536 134.06033 559976.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1537 135.08092 79495.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1538 148.07639 58182.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1539 148.11266 1671042.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1540 149.10986 53924.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1541 149.11572 1649040.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1542 178.0778 129475.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1543 180.08119 207313.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1544 193.10162 104706.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1545 194.09711 110382.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1546 195.10469 223024.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1547 221.09647 105352.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1548 222.09152 46935.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1549 222.10396 66419.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1550 223.09956 719508.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1551 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1552 FORMULA: C20H22N2O |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1553 INCHIKEY: DMYHGDXADUDKCQ-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1554 SMILES: CC(c1ccc(cc1)CCOc1ncnc2c1cccc2)(C)C |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1555 NAME: Fenazaquin |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1556 RETENTIONTIME: 7.977267 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1557 PRECURSORMZ: 307.1813 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1558 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1559 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1560 NUM PEAKS: 14 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1561 91.05441 199112.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1562 103.05439 73599.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1563 104.04984 64148.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1564 105.0702 917430.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1565 117.06997 181158.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1566 119.0857 712865.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1567 121.10135 76811.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1568 130.02905 143777.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1569 131.08598 2116571.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1570 133.10155 485868.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1571 145.10149 85536.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1572 146.10915 4833104.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1573 147.05551 4215618.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1574 161.13255 3701806.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1575 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1576 FORMULA: C14H17NO2Cl2 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1577 INCHIKEY: VDLGAVXLJYLFDH-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1578 SMILES: OC(=Nc1ccc(c(c1Cl)Cl)O)C1(C)CCCCC1 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1579 NAME: Fenhexamid |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1580 RETENTIONTIME: 6.679342 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1581 PRECURSORMZ: 302.0717 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1582 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1583 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1584 NUM PEAKS: 6 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1585 95.01299 111399.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1586 97.10134 4001007.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1587 142.00574 470488.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1588 143.0134 1124724.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1589 177.98218 162637.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1590 302.0708 49250.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1591 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1592 FORMULA: C24H27N3O4 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1593 INCHIKEY: YYJNOYZRYGDPNH-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1594 SMILES: Cc1nn(c(c1C=NOCc1ccc(cc1)C(=O)OC(C)(C)C)Oc1ccccc1)C |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1595 NAME: Fenpyroximate |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1596 RETENTIONTIME: 7.825895 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1597 PRECURSORMZ: 422.2081 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1598 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1599 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1600 NUM PEAKS: 90 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1601 91.04206 117996.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1602 91.05465 106024.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1603 92.0498 87696.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1604 93.05774 260654.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1605 94.04169 108699.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1606 95.04953 62385.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1607 95.06073 350683.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1608 96.06861 923552.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1609 104.04984 232471.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1610 106.06546 218843.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1611 107.02439 77423.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1612 107.04966 430579.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1613 109.04004 148437.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1614 110.0716 266167.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1615 111.05566 267693.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1616 112.06348 143921.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1617 113.07121 165810.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1618 117.05774 475621.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1619 118.06553 207059.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1620 121.0638 98676.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1621 121.07632 211577.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1622 122.07175 1015735.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1623 123.05569 588803.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1624 124.05084 136544.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1625 129.05762 234973.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1626 130.06567 646047.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1627 131.06102 64470.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1628 131.07352 162979.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1629 132.04504 124496.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1630 132.06866 204911.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1631 135.04469 1656891.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1632 136.05099 82782.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1633 137.05911 95506.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1634 138.06671 5569473.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1635 139.0507 103856.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1636 141.05769 86459.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1637 142.05298 63910.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1638 142.0657 196862.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1639 143.06068 233150.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1640 143.07355 214610.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1641 144.0448 925002.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1642 144.06847 64229.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1643 144.08099 258802.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1644 145.0527 116335.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1645 145.06537 86828.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1646 145.07661 796518.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1647 146.06033 143788.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1648 146.08401 227348.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1649 155.04976 327910.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1650 155.06065 279544.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1651 156.06877 75745.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1652 157.05295 67758.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1653 157.0614 631707.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1654 157.0762 440265.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1655 158.06033 63862.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1656 158.08434 1135306.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1657 159.06828 1092296.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1658 159.09198 191557.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1659 160.07613 68662.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1660 169.07677 248853.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1661 170.06049 475510.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1662 170.0843 65958.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1663 171.05582 124587.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1664 171.09184 186652.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1665 172.07626 63322.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1666 172.08717 90299.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1667 173.07166 613565.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1668 174.07939 186701.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1669 174.10281 124566.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1670 183.0555 60224.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1671 185.0714 282332.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1672 186.05576 83272.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1673 186.10275 837404.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1674 187.08711 307005.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1675 187.11115 179545.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1676 188.08208 68182.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1677 188.09454 56664.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1678 189.10245 172485.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1679 197.0715 161124.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1680 198.07919 265419.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1681 199.07426 148687.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1682 199.08707 368116.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1683 200.08215 638373.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1684 201.10309 239504.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1685 202.09793 790032.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1686 214.09836 4878472.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1687 215.10576 1548726.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1688 230.09335 285190.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1689 231.10078 772223.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1690 366.14682 271014.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1691 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1692 FORMULA: C9H6N3OF3 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1693 INCHIKEY: RLQJEEJISHYWON-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1694 SMILES: N#CCN=C(c1cnccc1C(F)(F)F)O |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1695 NAME: Flonicamid |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1696 RETENTIONTIME: 1.603478 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1697 PRECURSORMZ: 230.054 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1698 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1699 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1700 NUM PEAKS: 22 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1701 98.04052 1513015.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1702 101.01998 130358.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1703 126.03515 270418.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1704 128.0309 1130827.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1705 129.03873 894240.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1706 134.04785 187862.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1707 135.03584 106359.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1708 136.04333 85854.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1709 140.03102 72212.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1710 144.02579 576288.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1711 146.02148 1739781.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1712 147.02966 723489.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1713 148.03722 5717933.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1714 153.04604 178370.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1715 155.04199 750642.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1716 156.02586 62411.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1717 164.03217 431199.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1718 174.01654 1374723.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1719 175.0481 152887.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1720 176.0318 1685318.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1721 183.0369 1014810.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1722 203.04269 761411.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1723 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1724 FORMULA: C21H16N4O5ClF |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1725 INCHIKEY: UFEODZBUAFNAEU-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1726 SMILES: CON=C(c1ccccc1Oc1ncnc(c1F)Oc1ccccc1Cl)C1=NOCCO1 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1727 NAME: Fluoxastrobin |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1728 RETENTIONTIME: 7.061409 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1729 PRECURSORMZ: 459.0882 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1730 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1731 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1732 NUM PEAKS: 85 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1733 90.03426 262008.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1734 93.0339 81235.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1735 95.04953 126363.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1736 104.04984 132927.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1737 105.04505 96553.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1738 106.02911 119639.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1739 111.04436 132213.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1740 118.05279 109270.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1741 119.03689 143696.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1742 120.04464 501451.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1743 122.04026 150489.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1744 129.01041 330269.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1745 129.04503 292390.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1746 130.02905 326516.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1747 130.04021 649052.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1748 132.04463 118853.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1749 134.04034 93930.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1750 138.011 2207225.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1751 138.99483 184424.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1752 139.00627 992155.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1753 144.03229 102927.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1754 145.04005 956703.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1755 150.03526 1178492.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1756 151.00616 106379.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1757 154.04019 85122.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1758 157.04028 88434.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1759 159.036 96008.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1760 160.02722 141264.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1761 160.04352 103289.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1762 161.03488 323066.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1763 162.03548 140596.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1764 162.04268 203634.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1765 162.0554 114359.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1766 163.00633 194952.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1767 163.05046 168483.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1768 164.03441 768408.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1769 168.00159 464518.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1770 170.03549 190735.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1771 175.03069 390492.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1772 176.0387 156295.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1773 178.02998 1064297.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1774 179.00104 397625.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1775 183.99632 171687.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1776 188.03847 7591765.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1777 188.05785 92062.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1778 189.04591 91704.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1779 190.04181 129380.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1780 191.02574 180590.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1781 202.04166 121581.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1782 205.04123 347646.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1783 205.06093 241613.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1784 214.00674 231209.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1785 214.0412 97985.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1786 216.05721 78878.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1787 218.03612 98376.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1788 223.00748 102872.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1789 223.9912 115573.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1790 225.05933 90781.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1791 228.04449 112509.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1792 229.02827 136264.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1793 230.03622 724472.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1794 240.04454 142077.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1795 241.05283 128789.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1796 244.05261 88750.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1797 246.0312 274116.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1798 251.06181 83031.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1799 252.06947 77596.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1800 255.03178 103007.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1801 257.04721 91609.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1802 266.01273 226670.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1803 274.06223 117152.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1804 277.06509 115503.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1805 278.07285 221625.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1806 279.05734 137186.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1807 280.06467 243149.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1808 304.0531 127719.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1809 306.0679 3047910.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1810 313.04251 87383.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1811 315.03339 303129.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1812 318.06851 266951.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1813 331.0636 304000.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1814 340.02972 444209.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1815 342.04449 118004.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1816 367.03973 216560.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1817 383.03424 104628.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1818 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1819 FORMULA: C17H16NO2F3 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1820 INCHIKEY: PTCGDEVVHUXTMP-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1821 SMILES: CC(Oc1cccc(c1)N=C(c1ccccc1C(F)(F)F)O)C |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1822 NAME: Flutolanil |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1823 RETENTIONTIME: 6.193638 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1824 PRECURSORMZ: 324.1214 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1825 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1826 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1827 NUM PEAKS: 12 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1828 111.04436 4020810.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1829 121.03985 3392917.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1830 130.02905 2402830.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1831 145.02599 877135.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1832 166.06538 168609.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1833 173.02094 3306207.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1834 194.0601 203214.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1835 214.06641 383897.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1836 222.05511 217155.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1837 242.05533 161728.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1838 242.06139 15929322.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1839 262.06796 878870.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1840 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1841 FORMULA: C17H19NO4 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1842 INCHIKEY: CIEXPHRYOLIQQD-ZDUSSCGKSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1843 SMILES: COC(=O)C(N(c1c(C)cccc1C)C(=O)c1ccco1)C |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1844 NAME: Furalaxyl |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1845 RETENTIONTIME: 6.193638 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1846 PRECURSORMZ: 302.1392 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1847 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1848 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1849 NUM PEAKS: 1 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1850 95.01299 22120298.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1851 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1852 FORMULA: C14H14N2OCl2 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1853 INCHIKEY: PZBPKYOVPCNPJY-AWEZNQCLSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1854 SMILES: C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1855 NAME: Imazalil |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1856 RETENTIONTIME: 3.913752 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1857 PRECURSORMZ: 297.0566 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1858 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1859 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1860 NUM PEAKS: 17 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1861 102.04659 83349.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1862 109.0761 370634.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1863 122.99966 169161.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1864 129.07021 173674.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1865 137.01562 175055.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1866 138.02319 151710.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1867 141.0703 676682.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1868 149.01559 103927.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1869 150.02344 201572.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1870 158.97626 8128112.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1871 164.03893 173925.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1872 172.99223 1736974.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1873 175.03131 122074.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1874 176.0387 901695.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1875 186.97179 139839.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1876 200.98682 142186.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1877 255.00883 411510.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1878 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1879 FORMULA: C9H10N5O2Cl |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1880 INCHIKEY: YWTYJOPNNQFBPC-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1881 SMILES: O=N(=O)NC1=NCCN1Cc1ccc(nc1)Cl |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1882 NAME: Imidacloprid |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1883 RETENTIONTIME: 3.079668 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1884 PRECURSORMZ: 256.0602 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1885 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1886 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1887 NUM PEAKS: 36 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1888 99.05553 45726.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1889 105.04505 49039.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1890 106.06546 54345.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1891 107.06065 64812.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1892 113.00283 42520.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1893 119.04804 44604.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1894 119.06059 69901.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1895 120.05593 48869.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1896 126.01085 269914.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1897 127.01869 53555.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1898 128.02625 263416.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1899 131.06062 65155.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1900 132.05562 39478.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1901 133.06364 158210.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1902 133.076 126641.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1903 134.07159 138270.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1904 141.02173 133666.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1905 146.05891 66316.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1906 146.0717 317182.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1907 147.06651 418911.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1908 148.08702 165957.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1909 158.07153 211685.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1910 159.06667 39062.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1911 159.07906 265140.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1912 166.01717 43422.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1913 167.03738 137027.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1914 173.08266 507123.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1915 174.09048 481291.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1916 175.09782 2784924.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1917 180.03256 49532.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1918 181.02791 160573.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1919 191.09306 100802.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1920 194.04849 73037.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1921 208.05171 91411.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1922 209.05724 1316587.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1923 209.05885 3531093.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1924 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1925 FORMULA: C23H22NO4Cl |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1926 INCHIKEY: KWLVWJPJKJMCSH-JOCHJYFZSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1927 SMILES: C#CCOC(c1ccc(cc1)Cl)C(=NCCc1ccc(c(c1)OC)OCC#C)O |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1928 NAME: Mandipropamid |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1929 RETENTIONTIME: 6.964275 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1930 PRECURSORMZ: 412.1314 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1931 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1932 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1933 NUM PEAKS: 5 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1934 204.10207 530532.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1935 328.11053 16472820.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1936 356.10495 7175862.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1937 412.04471 215694.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1938 412.13226 2828841.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1939 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1940 FORMULA: C14H13N3 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1941 INCHIKEY: CIFWZNRJIBNXRE-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1942 SMILES: CC#Cc1nc(Nc2ccccc2)nc(c1)C |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1943 NAME: Mepanipyrim |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1944 RETENTIONTIME: 6.936112 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1945 PRECURSORMZ: 224.1185 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1946 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1947 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1948 NUM PEAKS: 102 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1949 89.03882 517274.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1950 90.03403 2492239.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1951 91.04182 279822.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1952 91.05441 689902.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1953 92.0498 1156467.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1954 93.0575 1581720.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1955 94.04169 907699.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1956 94.06544 4247548.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1957 95.04928 7648441.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1958 96.04461 836099.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1959 104.04984 9863130.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1960 105.04505 4799141.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1961 105.05748 280682.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1962 106.05285 481449.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1963 106.06546 21345988.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1964 107.06065 1636304.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1965 107.07314 792818.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1966 115.05464 3041902.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1967 116.0497 1214108.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1968 117.0574 623912.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1969 118.05279 352181.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1970 118.06553 2089902.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1971 119.06059 6016274.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1972 121.07632 4716914.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1973 122.06017 546355.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1974 124.07606 570495.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1975 128.04958 351035.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1976 128.06239 268794.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1977 129.04503 342815.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1978 129.05762 223642.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1979 129.07021 809903.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1980 130.04021 505143.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1981 130.05293 226615.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1982 130.06528 631733.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1983 131.06062 6745162.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1984 132.06825 1922003.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1985 139.05466 759207.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1986 139.08679 888214.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1987 140.0497 2660486.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1988 141.05769 432867.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1989 142.06525 4535240.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1990 143.06068 6551342.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1991 143.07307 827696.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1992 146.06033 239932.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1993 146.0717 582762.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1994 147.07945 1981982.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1995 149.07127 472905.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1996 152.06248 907036.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1997 153.06992 747588.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1998 154.06532 634466.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
1999 155.06065 477098.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2000 156.06825 343240.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2001 156.08081 938982.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2002 157.0762 689823.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2003 157.08888 215289.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2004 158.08434 241364.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2005 159.09198 967686.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2006 160.07613 1334605.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2007 165.05745 274138.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2008 166.06538 1659086.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2009 167.06058 783829.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2010 167.07332 1978108.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2011 168.06824 5290008.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2012 168.08109 220063.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2013 169.06438 286507.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2014 169.07619 592750.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2015 170.0968 225887.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2016 178.06569 490619.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2017 179.06082 272597.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2018 179.07304 1573880.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2019 180.08119 4503916.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2020 181.07629 4276790.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2021 181.08871 558180.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2022 182.08427 8178091.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2023 182.09682 299282.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2024 183.07944 1118528.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2025 183.09206 3652070.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2026 184.08746 3084619.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2027 184.09952 366883.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2028 185.0714 378043.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2029 190.06572 671329.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2030 191.06046 256444.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2031 191.07323 287427.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2032 192.06876 5238670.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2033 193.07642 340761.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2034 194.0717 335171.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2035 194.08405 455850.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2036 195.09225 1664615.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2037 196.0995 1003846.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2038 197.09528 319437.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2039 197.10789 734438.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2040 205.07669 7605397.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2041 206.08452 12079029.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2042 207.0798 627312.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2043 207.0918 5892684.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2044 208.08714 6327165.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2045 208.09923 895713.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2046 209.09537 7619410.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2047 221.09558 532629.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2048 222.10307 5281894.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2049 223.11121 2054946.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2050 224.119 13923746.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2051 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2052 FORMULA: C7H14N4O3 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2053 INCHIKEY: YKBZOVFACRVRJN-ZCFIWIBFSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2054 SMILES: CN=C(NN(=O)=O)NCC1COCC1 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2055 NAME: Dinotefuran |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2056 RETENTIONTIME: 1.502809 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2057 PRECURSORMZ: 203.1141 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2058 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2059 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2060 NUM PEAKS: 13 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2061 87.07939 212770.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2062 100.0872 147065.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2063 101.09495 14292.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2064 112.08705 103076.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2065 113.09509 522233.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2066 114.10273 536607.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2067 127.11057 50518.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2068 128.11842 69200.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2069 129.08989 1106553.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2070 129.12611 128089.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2071 157.12112 345152.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2072 173.11627 46987.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2073 203.11415 399504.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2074 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2075 FORMULA: C24H16N4O2F6 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2076 INCHIKEY: MIFOMMKAVSCNKQ-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2077 SMILES: N#Cc1ccc(cc1)CC(=NN=C(Nc1ccc(cc1)OC(F)(F)F)O)c1cccc(c1)C(F)(F)F |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2078 NAME: Metaflumizone |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2079 RETENTIONTIME: 7.19479 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2080 PRECURSORMZ: 507.1251 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2081 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2082 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2083 NUM PEAKS: 33 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2084 89.03882 112603.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2085 92.0498 159120.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2086 93.0575 96261.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2087 110.06045 137716.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2088 116.0497 2188022.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2089 128.04958 82526.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2090 159.04192 72170.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2091 171.04201 111513.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2092 174.05289 67561.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2093 176.03242 127986.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2094 177.04025 145377.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2095 178.04784 4081576.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2096 190.065 44917.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2097 191.07323 105042.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2098 204.02695 55744.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2099 218.08452 1276107.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2100 219.09236 53088.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2101 220.05638 42611.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2102 221.05324 329863.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2103 233.05731 59799.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2104 238.06659 64784.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2105 240.06252 447032.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2106 245.07082 222043.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2107 247.06392 273902.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2108 247.06705 1414469.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2109 260.0687 348712.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2110 267.07318 2569566.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2111 273.06406 84541.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2112 273.07617 78440.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2113 286.07156 143270.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2114 287.07932 2154516.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2115 288.0871 575359.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2116 330.08609 207585.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2117 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2118 FORMULA: C15H21NO4 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2119 INCHIKEY: ZQEIXNIJLIKNTD-LBPRGKRZSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2120 SMILES: COCC(=O)N(c1c(C)cccc1C)C(C(=O)OC)C |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2121 NAME: Metalaxyl |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2122 RETENTIONTIME: 5.550616 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2123 PRECURSORMZ: 280.1547 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2124 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2125 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2126 NUM PEAKS: 24 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2127 91.05441 81742.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2128 105.06991 446715.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2129 117.0574 85397.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2130 118.06519 181419.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2131 119.0857 203031.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2132 120.081 86040.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2133 121.08883 168662.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2134 130.06528 459915.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2135 131.0731 294735.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2136 132.08089 1629425.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2137 133.08878 1053467.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2138 134.09659 2186175.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2139 144.08099 390383.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2140 145.08881 2412390.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2141 146.09682 729220.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2142 147.10434 123350.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2143 148.11217 2255058.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2144 150.09151 223495.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2145 158.0966 105904.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2146 160.11201 8036024.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2147 162.12798 1800051.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2148 164.10716 139534.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2149 192.13879 614235.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2150 220.13348 136200.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2151 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2152 FORMULA: C15H17N4Cl |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2153 INCHIKEY: HZJKXKUJVSEEFU-HNNXBMFYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2154 SMILES: CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2155 NAME: Myclobutanil |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2156 RETENTIONTIME: 6.259462 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2157 PRECURSORMZ: 289.1221 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2158 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2159 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2160 NUM PEAKS: 18 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2161 89.03882 46919.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2162 98.99973 29039.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2163 115.05431 84807.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2164 116.06212 93918.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2165 125.01308 47666.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2166 125.01533 2894088.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2167 128.04958 45144.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2168 130.06528 66651.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2169 137.01562 42490.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2170 149.01559 47429.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2171 150.0106 90969.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2172 151.03107 531808.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2173 153.06992 32172.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2174 164.02652 222253.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2175 166.04185 38601.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2176 168.09337 31175.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2177 175.03131 41390.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2178 178.04208 93247.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2179 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2180 FORMULA: C14H18N2O4 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2181 INCHIKEY: UWVQIROCRJWDKL-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2182 SMILES: COCC(=O)N(c1c(C)cccc1C)N1CCOC1=O |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2183 NAME: Oxadixyl |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2184 RETENTIONTIME: 4.402048 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2185 PRECURSORMZ: 279.1344 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2186 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2187 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2188 NUM PEAKS: 7 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2189 102.05517 448694.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2190 132.08089 139055.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2191 133.08878 111093.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2192 160.07613 49235.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2193 192.10234 94587.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2194 219.11325 4470994.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2195 279.13367 216370.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2196 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2197 FORMULA: C15H16N3O2Cl3 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2198 INCHIKEY: TVLSRXXIMLFWEO-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2199 SMILES: CCCN(C(=O)n1cncc1)CCOc1c(Cl)cc(cc1Cl)Cl |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2200 NAME: Prochloraz |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2201 RETENTIONTIME: 7.089308 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2202 PRECURSORMZ: 376.0388 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2203 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2204 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2205 NUM PEAKS: 3 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2206 265.95453 2776909.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2207 308.00125 53942956.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2208 376.03964 3704219.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2209 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2210 FORMULA: C10H19N5O |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2211 INCHIKEY: ISEUFVQQFVOBCY-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2212 SMILES: COc1nc(=NC(C)C)[nH]c(=NC(C)C)[nH]1 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2213 NAME: Prometon_1 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2214 RETENTIONTIME: 3.185351 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2215 PRECURSORMZ: 226.1667 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2216 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2217 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2218 NUM PEAKS: 16 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2219 85.05116 254026.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2220 85.07622 1248785.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2221 86.03511 7693232.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2222 96.05572 2045746.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2223 97.03974 2776563.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2224 99.06665 1175450.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2225 100.05066 9824308.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2226 110.04619 496522.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2227 110.0716 223643.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2228 114.06643 4195590.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2229 128.08185 3094754.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2230 138.07761 783556.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2231 142.07253 19868644.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2232 168.0881 278497.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2233 170.10394 12296676.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2234 184.11964 1858746.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2235 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2236 FORMULA: C10H19N5O |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2237 INCHIKEY: ISEUFVQQFVOBCY-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2238 SMILES: COc1nc(=NC(C)C)[nH]c(=NC(C)C)[nH]1 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2239 NAME: Prometon_2 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2240 RETENTIONTIME: 3.288845 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2241 PRECURSORMZ: 226.1663 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2242 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2243 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2244 NUM PEAKS: 22 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2245 85.05116 203704.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2246 85.07622 1795800.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2247 86.03511 4360152.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2248 96.05572 3992152.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2249 97.03974 3296917.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2250 99.06665 489124.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2251 100.05066 11922340.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2252 110.04619 311190.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2253 110.0716 143123.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2254 113.0825 152844.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2255 114.06643 5615716.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2256 125.0461 170765.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2257 127.09787 169642.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2258 128.08185 4145137.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2259 129.0112 167032.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2260 138.07761 953215.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2261 142.07253 8482599.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2262 153.07755 208846.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2263 168.0881 343548.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2264 170.10394 12923365.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2265 184.11964 137608.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2266 226.16615 243943.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2267 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2268 FORMULA: C10H11N5O |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2269 INCHIKEY: QHMTXANCGGJZRX-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2270 SMILES: CC1=NN=C(N(C1)N=Cc1cccnc1)O |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2271 NAME: Pymetrozine |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2272 RETENTIONTIME: 1.373368 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2273 PRECURSORMZ: 218.1044 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2274 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2275 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2276 NUM PEAKS: 2 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2277 96.04461 383408.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2278 105.04506 15166273.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2279 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2280 FORMULA: C13H15NO2 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2281 INCHIKEY: YPCALTGLHFLNGA-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2282 SMILES: OC(=Nc1ccccc1)C1=C(C)OCCC1 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2283 NAME: Pyracarbolid |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2284 RETENTIONTIME: 4.72542 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2285 PRECURSORMZ: 218.1182 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2286 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2287 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2288 NUM PEAKS: 8 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2289 92.04956 222486.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2290 95.04928 559755.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2291 97.02871 2882447.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2292 97.06489 514552.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2293 105.04477 279492.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2294 107.04936 2653095.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2295 115.03907 949155.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2296 125.05998 14590636.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2297 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2298 FORMULA: C12H13N3 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2299 INCHIKEY: ZLIBICFPKPWGIZ-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2300 SMILES: Cc1cc(C)nc(n1)Nc1ccccc1 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2301 NAME: Pyrimethanil |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2302 RETENTIONTIME: 5.598423 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2303 PRECURSORMZ: 200.1186 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2304 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2305 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2306 NUM PEAKS: 43 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2307 91.05441 269141.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2308 92.0498 1006183.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2309 93.0575 798806.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2310 95.04928 864623.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2311 105.04505 538940.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2312 107.06065 6806452.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2313 115.05464 651194.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2314 116.0497 189558.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2315 117.0574 297627.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2316 118.05279 470418.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2317 118.06519 941436.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2318 119.06059 1862863.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2319 125.07124 2658422.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2320 129.07021 373721.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2321 131.06062 510426.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2322 132.08089 163131.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2323 139.05466 180641.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2324 140.0497 332716.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2325 141.05769 348146.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2326 142.06525 1271766.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2327 143.06068 2584610.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2328 143.07307 643411.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2329 154.06532 150404.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2330 155.06065 150810.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2331 156.06825 358067.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2332 156.08081 843618.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2333 158.08434 235445.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2334 158.0966 250403.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2335 159.09198 1057014.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2336 166.06538 692025.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2337 167.07332 885398.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2338 168.06824 6869380.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2339 173.10771 334158.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2340 173.50755 193551.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2341 181.07629 2021052.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2342 182.08163 471666.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2343 182.08427 7602030.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2344 183.09206 8147444.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2345 184.08679 232595.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2346 185.09505 609372.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2347 198.10313 499158.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2348 199.11044 154902.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2349 200.11862 13352280.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2350 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2351 FORMULA: C20H19NO3 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2352 INCHIKEY: NHDHVHZZCFYRSB-INIZCTEOSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2353 SMILES: CC(Oc1ccccn1)COc1ccc(cc1)Oc1ccccc1 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2354 NAME: Pyriproxyfen |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2355 RETENTIONTIME: 7.483148 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2356 PRECURSORMZ: 322.1441 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2357 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2358 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2359 NUM PEAKS: 21 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2360 91.05465 1995486.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2361 95.04953 2794273.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2362 96.04461 57722984.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2363 105.04505 1487815.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2364 105.0702 2138528.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2365 115.05464 2166874.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2366 119.04944 13154060.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2367 128.06239 2789226.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2368 129.07021 18069414.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2369 133.06531 2250340.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2370 134.07285 5007071.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2371 141.07028 4802710.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2372 153.07043 578116.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2373 155.06065 601649.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2374 157.06509 3489445.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2375 170.07298 834102.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2376 181.06517 682957.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2377 185.05991 13867037.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2378 186.06801 602621.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2379 194.07315 653455.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2380 199.07576 804230.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2381 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2382 FORMULA: C17H19NO2 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2383 INCHIKEY: BCTQJXQXJVLSIG-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2384 SMILES: CC(Oc1cccc(c1)N=C(c1ccccc1C)O)C |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2385 NAME: Mepronil |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2386 RETENTIONTIME: 6.63015 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2387 PRECURSORMZ: 270.1492 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2388 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2389 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2390 NUM PEAKS: 8 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2391 91.05465 4818532.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2392 107.04936 268915.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2393 108.0449 232011.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2394 109.0651 1528311.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2395 111.04436 177960.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2396 119.04979 16405699.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2397 119.0592 353581.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2398 136.03949 166339.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2399 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2400 FORMULA: C18H35NO2 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2401 INCHIKEY: PUYXTUJWRLOUCW-PQUAAJSLSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2402 SMILES: CCCN(CC1COC2(O1)CCC(CC2)C(C)(C)C)CC |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2403 NAME: Spiroxamine_2 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2404 RETENTIONTIME: 4.628222 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2405 PRECURSORMZ: 298.2747 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2406 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2407 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2408 NUM PEAKS: 4 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2409 100.11219 10585697.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2410 102.09142 415934.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2411 126.12786 286929.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2412 144.13857 10367585.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2413 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2414 FORMULA: C18H24N3OCl |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2415 INCHIKEY: ZZYSLNWGKKDOML-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2416 SMILES: CCc1nn(c(c1Cl)C(=O)NCc1ccc(cc1)C(C)(C)C)C |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2417 NAME: Tebufenpyrad |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2418 RETENTIONTIME: 7.223254 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2419 PRECURSORMZ: 334.1692 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2420 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2421 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2422 NUM PEAKS: 17 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2423 90.01088 682936.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2424 91.05441 694638.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2425 105.0702 2926113.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2426 107.08593 482744.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2427 117.02172 17275010.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2428 117.06997 1213127.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2429 119.0857 4335492.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2430 130.02946 271510.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2431 131.08559 179894.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2432 132.09351 4494128.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2433 145.05318 15327344.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2434 145.10149 224176.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2435 147.11679 8812113.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2436 171.03239 1499108.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2437 188.05853 456215.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2438 200.05861 396435.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2439 334.16821 933979.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2440 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2441 FORMULA: C10H19N5O |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2442 INCHIKEY: BCQMBFHBDZVHKU-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2443 SMILES: CCN=c1nc([nH]c(n1)OC)NC(C)(C)C |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2444 NAME: Terbumeton_1 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2445 RETENTIONTIME: 3.185351 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2446 PRECURSORMZ: 226.1667 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2447 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2448 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2449 NUM PEAKS: 16 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2450 85.05116 254026.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2451 85.07622 1248785.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2452 86.03511 7693232.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2453 96.05572 2045746.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2454 97.03974 2776563.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2455 99.06665 1175450.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2456 100.05066 9824308.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2457 110.04619 496522.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2458 110.0716 223643.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2459 114.06643 4195590.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2460 128.08185 3094754.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2461 138.07761 783556.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2462 142.07253 19868644.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2463 168.0881 278497.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2464 170.10394 12296676.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2465 184.11964 1858746.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2466 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2467 FORMULA: C10H19N5O |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2468 INCHIKEY: BCQMBFHBDZVHKU-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2469 SMILES: CCN=c1nc([nH]c(n1)OC)NC(C)(C)C |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2470 NAME: Terbumeton_2 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2471 RETENTIONTIME: 3.288845 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2472 PRECURSORMZ: 226.1663 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2473 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2474 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2475 NUM PEAKS: 22 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2476 85.05116 203704.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2477 85.07622 1795800.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2478 86.03511 4360152.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2479 96.05572 3992152.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2480 97.03974 3296917.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2481 99.06665 489124.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2482 100.05066 11922340.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2483 110.04619 311190.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2484 110.0716 143123.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2485 113.0825 152844.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2486 114.06643 5615716.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2487 125.0461 170765.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2488 127.09787 169642.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2489 128.08185 4145137.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2490 129.0112 167032.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2491 138.07761 953215.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2492 142.07253 8482599.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2493 153.07755 208846.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2494 168.0881 343548.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2495 170.10394 12923365.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2496 184.11964 137608.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2497 226.16615 243943.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2498 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2499 FORMULA: C14H16N3O2Cl |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2500 INCHIKEY: WURBVZBTWMNKQT-ZDUSSCGKSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2501 SMILES: O=C(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2502 NAME: Triadimefon |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2503 RETENTIONTIME: 6.495691 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2504 PRECURSORMZ: 294.101 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2505 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2506 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2507 NUM PEAKS: 34 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2508 91.05441 220380.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2509 93.03366 110759.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2510 94.04145 226678.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2511 95.04928 293143.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2512 98.99973 2161492.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2513 103.03109 47635.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2514 105.04505 158971.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2515 107.04936 77343.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2516 109.0651 56624.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2517 110.03504 91263.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2518 110.99978 78358.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2519 111.04436 239293.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2520 113.0154 1133437.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2521 119.04944 129126.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2522 119.06059 60561.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2523 120.05734 170448.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2524 121.03985 123630.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2525 125.01533 88037.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2526 126.99488 4331208.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2527 127.03099 234800.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2528 129.01041 2984985.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2529 133.10155 53571.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2530 137.01562 52817.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2531 139.00583 1903109.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2532 141.0105 4051184.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2533 146.07265 75724.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2534 147.08089 154110.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2535 155.02592 1609516.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2536 159.02092 270169.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2537 161.09631 105167.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2538 173.50877 58953.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2539 175.07544 124355.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2540 190.09877 46793.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2541 197.073 124633.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2542 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2543 FORMULA: C20H19N2O4F3 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2544 INCHIKEY: ONCZDRURRATYFI-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2545 SMILES: CON=C(c1ccccc1CON=C(c1cccc(c1)C(F)(F)F)C)C(=O)OC |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2546 NAME: Trifloxystrobin |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2547 RETENTIONTIME: 7.117416 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2548 PRECURSORMZ: 409.1378 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2549 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2550 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2551 NUM PEAKS: 20 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2552 89.03905 311273.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2553 91.05465 552137.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2554 105.07049 281496.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2555 116.05004 3644672.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2556 117.05774 1059431.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2557 118.06553 996646.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2558 119.04944 261371.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2559 130.06567 752094.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2560 131.07352 3968814.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2561 132.04504 549533.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2562 132.08128 1313192.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2563 134.06033 476020.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2564 145.02644 9201794.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2565 146.06033 1786913.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2566 147.06844 435652.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2567 161.0475 625467.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2568 163.03706 449951.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2569 173.03255 3885334.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2570 186.05302 16153518.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2571 206.08214 362046.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2572 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2573 FORMULA: C14H16Cl3NO2 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2574 INCHIKEY: SOUGWDPPRBKJEX-AWEZNQCLSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2575 SMILES: CCC(C(=O)CCl)(N=C(c1cc(Cl)c(c(c1)Cl)C)O)C |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2576 NAME: Zoxamide |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2577 RETENTIONTIME: 7.042906 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2578 PRECURSORMZ: 336.0327 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2579 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2580 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2581 NUM PEAKS: 7 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2582 122.99966 189624.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2583 158.97681 2350836.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2584 160.99211 84080.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2585 176.98717 132424.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2586 186.97179 7551578.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2587 186.98138 1310863.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2588 203.99802 105210.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2589 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2590 FORMULA: C15H8NOCl2F |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2591 INCHIKEY: WRPIRSINYZBGPK-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2592 SMILES: Fc1ccc(cc1)Oc1ccnc2c1c(Cl)cc(c2)Cl |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2593 NAME: Quinoxyfen |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2594 RETENTIONTIME: 7.693292 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2595 PRECURSORMZ: 308.0046 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2596 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2597 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2598 NUM PEAKS: 28 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2599 113.04024 951160.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2600 123.00003 519051.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2601 123.03591 2234640.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2602 133.05254 505534.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2603 150.01109 1173838.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2604 162.01112 4388227.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2605 168.02145 1536952.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2606 178.01723 957090.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2607 183.97221 586345.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2608 184.97952 1042789.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2609 196.98022 34758736.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2610 209.06372 991608.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2611 210.0717 743797.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2612 212.97452 543051.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2613 213.98238 16892596.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2614 217.02182 350576.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2615 219.02536 368183.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2616 225.03487 908834.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2617 237.05934 2476225.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2618 238.06659 390133.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2619 244.03317 3467599.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2620 245.04095 5069296.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2621 253.02917 653474.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2622 254.03786 417640.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2623 272.02798 14312807.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2624 280.00934 1380984.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2625 287.99789 1053238.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2626 308.00415 16622164.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2627 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2628 FORMULA: C23H22O6 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2629 INCHIKEY: JUVIOZPCNVVQFO-NDXORKPFSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2630 SMILES: COc1cc2c(cc1OC)OCC1C2C(=O)c2c(O1)c1CC(Oc1cc2)C(=C)C |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2631 NAME: Rotenone |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2632 RETENTIONTIME: 7.674882 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2633 PRECURSORMZ: 395.1498 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2634 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2635 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2636 NUM PEAKS: 118 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2637 91.05441 20240.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2638 94.04169 8976.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2639 95.04953 15733.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2640 96.05724 5644.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2641 103.05439 9409.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2642 105.04505 12948.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2643 105.0702 18947.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2644 107.04936 14407.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2645 108.05726 28276.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2646 109.0651 27746.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2647 115.05464 7748.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2648 118.04178 6690.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2649 119.04944 11358.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2650 119.0857 16350.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2651 121.06523 31422.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2652 122.03665 11422.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2653 123.04434 5563.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2654 124.05232 66924.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2655 125.05998 10770.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2656 128.06239 12472.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2657 129.07021 21798.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2658 131.04935 9618.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2659 132.05725 6374.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2660 133.02864 9569.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2661 133.06488 59218.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2662 135.04427 48791.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2663 135.08092 12734.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2664 136.05228 31669.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2665 137.05997 22461.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2666 139.07579 190263.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2667 141.07028 6275.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2668 142.07797 14608.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2669 143.08594 13615.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2670 144.05733 5067.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2671 145.0649 8486.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2672 147.04451 61525.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2673 147.08089 94625.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2674 148.0522 39063.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2675 149.02341 19610.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2676 149.06003 21143.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2677 150.06783 16274.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2678 151.03905 10391.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2679 151.07541 203001.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2680 152.04688 7942.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2681 152.06248 13044.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2682 153.05467 9160.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2683 155.0705 50109.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2684 155.08604 5247.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2685 157.06509 11481.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2686 157.10156 7250.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2687 159.0446 58047.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2688 160.05222 12860.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2689 161.02338 80194.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2690 161.0601 108267.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2691 161.09631 10911.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2692 162.0676 99660.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2693 163.03929 24087.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2694 163.07561 12092.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2695 164.04738 8000.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2696 165.05518 11042.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2697 165.06599 31937.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2698 165.09103 67666.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2699 167.03391 16070.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2700 167.07042 68033.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2701 167.08607 14650.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2702 169.06497 20549.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2703 170.07298 47466.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2704 171.0444 8000.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2705 171.08104 35499.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2706 173.06004 17137.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2707 174.06767 6932.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2708 175.03938 17059.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2709 175.07544 21766.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2710 176.04684 21189.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2711 177.05479 232262.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2712 178.05867 5911.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2713 178.0625 25475.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2714 179.07047 162479.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2715 181.04948 12121.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2716 183.08076 4979.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2717 185.05991 48654.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2718 185.09641 26209.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2719 187.03905 10827.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2720 188.04747 5292.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2721 189.05499 13091.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2722 189.09126 53174.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2723 191.07039 460509.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2724 192.07661 134602.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2725 192.07805 420800.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2726 193.04977 5384.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2727 193.0865 52606.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2728 195.08057 343831.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2729 197.05963 10859.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2730 198.06796 244073.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2731 199.07576 11375.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2732 201.09085 5454.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2733 203.07065 271508.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2734 205.0499 11121.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2735 211.07547 11767.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2736 213.05545 8031.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2737 213.09134 496635.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2738 219.06538 18652.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2739 220.07301 15899.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2740 223.07542 20667.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2741 226.06303 9493.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2742 229.08595 8069.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2743 241.08595 34858.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2744 309.07611 9652.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2745 319.09708 7916.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2746 321.11215 19786.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2747 331.09756 10399.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2748 333.11328 6140.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2749 334.08463 6723.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2750 335.12769 6532.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2751 337.1073 11225.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2752 347.091 7782.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2753 349.10764 9303.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2754 377.13797 5836.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2755 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2756 FORMULA: C10H19N5O |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2757 INCHIKEY: ZJMZZNVGNSWOOM-ZETCQYMHSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2758 SMILES: CCN=c1nc(OC)[nH]c(=NC(CC)C)[nH]1 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2759 NAME: Secbumeton_1 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2760 RETENTIONTIME: 3.185351 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2761 PRECURSORMZ: 226.1667 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2762 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2763 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2764 NUM PEAKS: 16 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2765 85.05116 254026.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2766 85.07622 1248785.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2767 86.03511 7693232.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2768 96.05572 2045746.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2769 97.03974 2776563.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2770 99.06665 1175450.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2771 100.05066 9824308.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2772 110.04619 496522.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2773 110.0716 223643.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2774 114.06643 4195590.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2775 128.08185 3094754.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2776 138.07761 783556.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2777 142.07253 19868644.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2778 168.0881 278497.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2779 170.10394 12296676.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2780 184.11964 1858746.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2781 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2782 FORMULA: C10H19N5O |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2783 INCHIKEY: ZJMZZNVGNSWOOM-ZETCQYMHSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2784 SMILES: CCN=c1nc(OC)[nH]c(=NC(CC)C)[nH]1 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2785 NAME: Secbumeton_2 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2786 RETENTIONTIME: 3.288845 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2787 PRECURSORMZ: 226.1663 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2788 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2789 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2790 NUM PEAKS: 22 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2791 85.05116 203704.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2792 85.07622 1795800.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2793 86.03511 4360152.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2794 96.05572 3992152.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2795 97.03974 3296917.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2796 99.06665 489124.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2797 100.05066 11922340.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2798 110.04619 311190.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2799 110.0716 143123.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2800 113.0825 152844.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2801 114.06643 5615716.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2802 125.0461 170765.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2803 127.09787 169642.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2804 128.08185 4145137.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2805 129.0112 167032.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2806 138.07761 953215.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2807 142.07253 8482599.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2808 153.07755 208846.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2809 168.0881 343548.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2810 170.10394 12923365.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2811 184.11964 137608.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2812 226.16615 243943.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2813 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2814 FORMULA: C18H35NO2 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2815 INCHIKEY: PUYXTUJWRLOUCW-PQUAAJSLSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2816 SMILES: CCCN(CC1COC2(O1)CCC(CC2)C(C)(C)C)CC |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2817 NAME: Spiroxamine_1 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2818 RETENTIONTIME: 4.508498 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2819 PRECURSORMZ: 298.2746 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2820 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2821 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2822 NUM PEAKS: 4 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2823 100.11219 3396827.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2824 102.09142 137060.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2825 126.12786 85740.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2826 144.13857 3215019.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2827 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2828 FORMULA: C8H6N2OS2 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2829 INCHIKEY: UELITFHSCLAHKR-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2830 SMILES: CSC(=O)c1cccc2c1snn2 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2831 NAME: Acibenzolar-S-methyl |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2832 RETENTIONTIME: 7.209623 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2833 PRECURSORMZ: 210.9997 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2834 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2835 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2836 NUM PEAKS: 19 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2837 90.96726 85952.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2838 91.05441 657143.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2839 95.04928 118440.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2840 96.00319 401311.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2841 104.02592 176500.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2842 105.04505 89136.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2843 106.99528 418903.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2844 108.00302 780675.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2845 109.0107 470651.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2846 111.02646 108320.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2847 121.01091 958564.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2848 122.01855 285730.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2849 134.99037 663158.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2850 135.99904 120240.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2851 136.00926 5947453.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2852 139.97499 2000969.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2853 152.98305 216362.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2854 167.97003 464522.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2855 210.99977 327401.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2856 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2857 FORMULA: C13H24N4O3S |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2858 INCHIKEY: DSKJPMWIHSOYEA-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2859 SMILES: CCCCc1c(C)[nH]c(=NCC)nc1OS(=O)(=O)N(C)C |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2860 NAME: Bupirimate |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2861 RETENTIONTIME: 6.076324 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2862 PRECURSORMZ: 317.1649 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2863 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2864 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2865 NUM PEAKS: 55 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2866 86.07153 235598.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2867 93.07003 108137.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2868 95.06072 255743.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2869 95.08585 244503.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2870 96.04461 1438629.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2871 96.08099 127976.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2872 97.03999 368735.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2873 98.06032 1406789.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2874 107.07314 137145.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2875 108.01175 7604676.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2876 109.0761 227922.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2877 110.06014 169356.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2878 110.0716 162792.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2879 110.09671 354193.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2880 120.081 147452.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2881 122.07138 411681.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2882 122.09673 123475.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2883 123.05569 195728.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2884 123.09197 115035.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2885 124.06344 181991.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2886 136.0872 149699.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2887 137.05867 120788.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2888 137.09485 160672.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2889 138.06628 1098460.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2890 138.09154 233604.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2891 138.10286 398553.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2892 139.07446 1057776.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2893 139.12334 148466.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2894 140.10709 5071826.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2895 148.08701 244501.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2896 150.10286 2737236.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2897 151.07442 131788.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2898 151.11079 210989.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2899 151.12326 149447.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2900 152.08211 600122.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2901 164.08234 442472.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2902 165.08989 1444691.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2903 165.10242 2298446.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2904 166.09755 10809536.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2905 167.10577 1006139.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2906 179.12965 335810.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2907 180.11362 538952.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2908 180.14995 435438.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2909 182.12912 1149384.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2910 191.11787 124435.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2911 192.14951 246681.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2912 193.13402 1395706.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2913 194.12903 1925937.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2914 208.14435 1874942.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2915 209.17653 127377.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2916 210.15997 6891096.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2917 224.17574 413548.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2918 237.20732 1204267.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2919 262.08615 349666.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2920 272.10626 143082.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2921 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2922 FORMULA: C16H23N3OS |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2923 INCHIKEY: PRLVTUNWOQKEAI-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2924 SMILES: CC(N1C(=NC(C)(C)C)SCN(C1=O)c1ccccc1)C |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2925 NAME: Buprofezin |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2926 RETENTIONTIME: 7.028851 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2927 PRECURSORMZ: 306.1638 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2928 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2929 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2930 NUM PEAKS: 7 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2931 86.06017 3955916.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2932 95.04928 722739.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2933 102.03746 765607.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2934 102.99629 1020337.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2935 106.06516 49438552.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2936 145.04333 786651.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2937 208.05412 1036458.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2938 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2939 FORMULA: C12H13NO2S |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2940 INCHIKEY: GYSSRZJIHXQEHQ-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2941 SMILES: OC(=Nc1ccccc1)C1=C(C)OCCS1 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2942 NAME: Carboxin |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2943 RETENTIONTIME: 5.514598 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2944 PRECURSORMZ: 236.0745 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2945 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2946 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2947 NUM PEAKS: 21 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2948 86.99005 83162.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2949 89.00569 35962.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2950 92.0498 113299.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2951 93.0575 2928372.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2952 94.06519 52720.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2953 95.04928 67153.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2954 99.02643 59993.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2955 104.04956 151593.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2956 105.04476 45581.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2957 115.02152 31967.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2958 120.04463 57401.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2959 124.02155 960327.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2960 128.04956 63924.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2961 132.04463 580531.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2962 138.03711 35055.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2963 143.01614 2499380.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2964 146.06033 163428.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2965 148.02174 69210.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2966 162.03714 126130.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2967 165.02444 140508.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2968 166.03207 97516.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2969 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2970 FORMULA: C17H26NO3ClS |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2971 INCHIKEY: SILSDTWXNBZOGF-KUZBFYBWSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2972 SMILES: CCSC(CC1CC(=O)C(=C(NOCC=CCl)CC)C(=O)C1)C |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2973 NAME: Clethodim_1 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2974 RETENTIONTIME: 6.687163 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2975 PRECURSORMZ: 360.1401 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2976 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2977 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2978 NUM PEAKS: 93 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2979 89.0422 26517.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2980 91.05441 49957.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2981 92.04956 6055.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2982 93.0575 11783.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2983 93.07003 33788.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2984 94.06519 21009.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2985 95.04928 65958.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2986 95.0856 11343.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2987 96.04461 77264.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2988 98.06032 83926.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2989 103.05439 27407.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2990 105.04505 6981.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2991 105.07019 30263.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2992 106.06516 86354.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2993 107.04936 34964.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2994 107.08563 8621.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2995 108.0446 28107.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2996 108.08108 167346.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2997 109.0651 32723.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2998 110.06014 31720.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
2999 110.09671 12453.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3000 111.04435 12775.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3001 111.06791 6651.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3002 114.05498 7671.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3003 114.0916 11353.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3004 115.0543 6778.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3005 117.05739 8001.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3006 117.06997 20495.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3007 118.06519 20951.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3008 119.04944 18911.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3009 119.06059 9053.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3010 119.0857 23128.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3011 120.04463 7579.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3012 120.081 8457.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3013 121.06487 56724.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3014 122.06016 65198.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3015 122.09673 13384.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3016 123.04433 7289.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3017 124.03934 5264.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3018 124.07605 20748.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3019 127.02138 23658.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3020 128.06201 5671.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3021 129.07021 5839.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3022 131.0731 6698.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3023 131.08559 5362.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3024 132.08089 18560.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3025 133.06488 10377.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3026 133.10155 8105.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3027 134.06033 147188.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3028 134.09659 13221.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3029 135.08049 8346.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3030 136.03949 70010.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3031 136.07568 371565.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3032 136.11234 9112.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3033 137.05997 23108.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3034 138.05496 9422.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3035 138.09154 20890.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3036 144.08099 5145.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3037 145.0649 6292.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3038 146.06033 26112.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3039 146.09634 7672.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3040 147.04402 77322.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3041 147.08089 12959.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3042 148.0759 20412.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3043 149.04733 5916.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3044 149.06003 102646.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3045 150.05499 6525.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3046 150.09151 15556.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3047 150.12804 6161.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3048 152.07053 18217.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3049 158.04488 6800.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3050 160.07613 16467.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3051 160.11201 5212.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3052 161.0601 8950.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3053 161.09631 9597.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3054 162.0554 6952.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3055 162.0914 19731.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3056 163.06274 15231.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3057 164.07106 350022.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3058 164.10716 16374.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3059 166.08664 512799.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3060 166.12283 13211.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3061 167.09418 26398.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3062 173.50754 5344.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3063 178.08673 16500.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3064 178.12309 12987.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3065 180.08443 5978.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3066 180.10194 6844.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3067 190.1227 6425.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3068 192.10233 16067.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3069 206.11787 6696.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3070 212.11047 16431.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3071 240.10542 8682.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3072 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3073 FORMULA: C17H26NO3ClS |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3074 INCHIKEY: SILSDTWXNBZOGF-KUZBFYBWSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3075 SMILES: CCSC(CC1CC(=O)C(=C(NOCC=CCl)CC)C(=O)C1)C |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3076 NAME: Clethodim_2 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3077 RETENTIONTIME: 7.277172 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3078 PRECURSORMZ: 360.1401 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3079 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3080 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3081 NUM PEAKS: 68 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3082 89.0422 98238.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3083 91.05464 171745.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3084 93.05774 38046.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3085 93.07027 136004.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3086 94.06543 101832.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3087 95.04953 227900.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3088 95.08585 40869.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3089 96.04461 221541.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3090 98.06032 529705.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3091 103.05467 131256.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3092 105.07019 127685.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3093 106.06545 53082.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3094 107.04936 136788.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3095 107.08593 34588.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3096 108.0446 65341.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3097 108.08108 867554.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3098 109.0651 107578.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3099 110.06044 125419.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3100 111.04435 54097.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3101 111.06822 33474.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3102 114.0916 70953.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3103 117.07031 92684.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3104 118.06553 57896.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3105 119.04944 77592.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3106 119.0857 101869.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3107 120.081 44118.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3108 121.06523 314215.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3109 122.06016 283363.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3110 122.09673 58647.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3111 124.07605 110151.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3112 127.02138 108658.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3113 133.10155 43604.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3114 134.06033 82368.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3115 134.09659 80374.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3116 135.08092 42793.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3117 136.07613 1946515.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3118 136.11234 44348.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3119 137.05997 112159.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3120 138.05539 37327.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3121 138.09154 107538.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3122 146.06033 140672.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3123 146.09682 35123.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3124 147.04449 448482.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3125 147.06795 32058.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3126 147.08089 54066.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3127 148.0759 90038.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3128 149.06003 660024.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3129 150.09151 33706.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3130 152.07103 119001.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3131 161.0601 46725.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3132 161.09631 40686.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3133 162.09196 88271.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3134 163.06331 31458.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3135 164.07106 2144695.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3136 164.10716 97593.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3137 166.08664 3133889.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3138 166.12283 98337.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3139 167.09418 133413.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3140 177.07883 31343.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3141 178.12309 80524.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3142 179.09425 38320.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3143 180.10194 39682.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3144 190.1227 42958.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3145 192.10233 115116.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3146 206.11787 45529.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3147 208.13387 37258.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3148 212.11047 103531.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3149 240.10542 87328.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3150 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3151 FORMULA: C6H8N5O2ClS |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3152 INCHIKEY: PGOOBECODWQEAB-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3153 SMILES: CN=C(NN(=O)=O)NCc1cnc(s1)Cl |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3154 NAME: Clothianidin |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3155 RETENTIONTIME: 2.767634 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3156 PRECURSORMZ: 250.0162 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3157 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3158 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3159 NUM PEAKS: 12 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3160 113.01702 68898.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3161 131.96729 1556136.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3162 146.97801 24619.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3163 168.04659 701063.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3164 169.05435 2394222.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3165 172.98125 33776.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3166 174.9729 46060.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3167 203.01552 30320.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3168 204.02304 121736.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3169 206.01546 199604.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3170 220.01871 34828.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3171 250.01668 782407.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3172 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3173 FORMULA: C13H13N4O2ClS |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3174 INCHIKEY: YXKMMRDKEKCERS-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3175 SMILES: N#Cc1nc(c(n1S(=O)(=O)N(C)C)c1ccc(cc1)C)Cl |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3176 NAME: Cyazofamid |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3177 RETENTIONTIME: 6.824718 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3178 PRECURSORMZ: 325.0526 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3179 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3180 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3181 NUM PEAKS: 14 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3182 108.01175 7160721.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3183 216.03249 215458.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3184 217.0407 634975.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3185 218.0482 106134.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3186 225.11369 156877.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3187 226.12143 91884.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3188 233.06017 429313.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3189 251.07034 448093.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3190 251.10664 310661.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3191 261.09036 1553497.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3192 279.10236 522333.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3193 325.052 1817226.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3194 325.14325 121241.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3195 325.23611 85648.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3196 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3197 FORMULA: C13H9N4OCl2F3S |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3198 INCHIKEY: FNELVJVBIYMIMC-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3199 SMILES: N#Cc1nn(c(c1S(=O)CC)N)c1c(Cl)cc(cc1Cl)C(F)(F)F |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3200 NAME: Ethiprole |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3201 RETENTIONTIME: 5.828761 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3202 PRECURSORMZ: 396.991 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3203 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3204 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3205 NUM PEAKS: 11 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3206 212.94865 522963.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3207 227.9595 466048.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3208 240.95441 720208.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3209 254.9706 13822754.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3210 263.97287 158454.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3211 271.93167 238242.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3212 288.95517 162603.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3213 288.96835 478467.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3214 315.97946 548987.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3215 323.93817 233169.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3216 350.94952 1933706.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3217 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3218 FORMULA: C13H18O5S |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3219 INCHIKEY: IRCMYGHHKLLGHV-GFCCVEGCSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3220 SMILES: CCOC1Oc2c(C1(C)C)cc(cc2)OS(=O)(=O)C |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3221 NAME: Ethofumesate |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3222 RETENTIONTIME: 6.01901 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3223 PRECURSORMZ: 287.0957 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3224 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3225 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3226 NUM PEAKS: 10 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3227 121.06523 2086509.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3228 149.09618 158152.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3229 161.0601 278315.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3230 162.0676 51729.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3231 163.07561 321436.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3232 179.07047 102226.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3233 241.05281 803837.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3234 259.06424 3450423.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3235 277.07498 105295.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3236 287.09497 1000737.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3237 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3238 FORMULA: C17H17N3OS |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3239 INCHIKEY: LMVPQMGRYSRMIW-KRWDZBQOSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3240 SMILES: CSC1=NC(C(=O)N1Nc1ccccc1)(C)c1ccccc1 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3241 NAME: Fenamidone |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3242 RETENTIONTIME: 6.626915 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3243 PRECURSORMZ: 312.1172 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3244 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3245 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3246 NUM PEAKS: 23 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3247 92.0498 32114948.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3248 103.05439 9639649.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3249 104.04984 654872.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3250 118.05279 339058.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3251 120.081 4707760.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3252 124.07605 564026.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3253 133.06364 333596.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3254 133.07642 2035568.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3255 134.07159 10042268.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3256 150.02492 4123380.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3257 158.07153 1565433.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3258 161.07108 557286.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3259 165.04834 2679578.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3260 170.09679 350930.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3261 194.09637 1767185.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3262 195.09152 465030.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3263 206.08372 504328.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3264 207.06779 429040.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3265 211.12321 535099.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3266 219.09235 850480.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3267 221.0947 1138537.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3268 236.11884 5452674.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3269 237.04855 688489.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3270 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3271 FORMULA: C12H4N4OCl2F6S |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3272 INCHIKEY: ZOCSXAVNDGMNBV-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3273 SMILES: N#Cc1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3274 NAME: Fipronil |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3275 RETENTIONTIME: 6.367518 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3276 PRECURSORMZ: 436.9474 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3277 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3278 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3279 NUM PEAKS: 44 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3280 85.96982 4313.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3281 113.00444 3712.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3282 113.98832 5133.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3283 139.99144 7362.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3284 212.94781 4882.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3285 221.00912 225249.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3286 227.95949 26131.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3287 228.96689 57334.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3288 229.97443 5477.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3289 238.95135 20431.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3290 239.95872 31698.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3291 240.95441 5173.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3292 246.00426 38514.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3293 246.98785 4361.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3294 249.00337 20177.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3295 252.98164 49955.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3296 253.96179 34002.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3297 254.96948 369569.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3298 255.97771 5120.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3299 256.92007 8581.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3300 257.96988 6310.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3301 258.00436 15884.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3302 262.96518 141114.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3303 263.94986 4319.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3304 264.95398 10810.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3305 265.00839 13074.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3306 266.97012 5374.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3307 270.00439 13928.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3308 270.92358 71148.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3309 277.9621 52537.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3310 280.97632 110429.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3311 281.98138 13157.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3312 284.00772 9139.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3313 285.01489 32296.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3314 287.96118 3855.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3315 289.97687 181252.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3316 305.97165 38958.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3317 314.97189 30271.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3318 315.97946 17897.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3319 319.98468 18911.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3320 332.98279 23894.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3321 341.94772 7327.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3322 350.94775 6206.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3323 367.95102 6446.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3324 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3325 FORMULA: C14H13N3O2F4S |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3326 INCHIKEY: IANUJLZYFUDJIH-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3327 SMILES: Fc1ccc(cc1)N(C(=O)COc1nnc(s1)C(F)(F)F)C(C)C |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3328 NAME: Flufenacet |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3329 RETENTIONTIME: 6.476889 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3330 PRECURSORMZ: 364.0744 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3331 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3332 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3333 NUM PEAKS: 5 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3334 124.05603 201655.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3335 152.0509 5487354.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3336 152.08713 528888.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3337 194.09782 19271964.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3338 364.07422 2107439.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3339 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3340 FORMULA: C17H21N2O2ClS |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3341 INCHIKEY: XGWIJUOSCAQSSV-XHDPSFHLSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3342 SMILES: CC1N(C(=O)SC1c1ccc(cc1)Cl)C(=NC1CCCCC1)O |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3343 NAME: Hexythiazox |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3344 RETENTIONTIME: 7.46046 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3345 PRECURSORMZ: 353.1096 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3346 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3347 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3348 NUM PEAKS: 18 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3349 115.0543 1419536.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3350 116.06212 1728574.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3351 117.05739 141175.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3352 125.01533 77703.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3353 132.08089 464129.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3354 133.06488 142255.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3355 133.08878 1059309.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3356 140.04968 116606.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3357 141.05769 118308.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3358 143.06068 285902.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3359 151.03107 3098662.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3360 153.03435 252766.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3361 159.06828 444319.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3362 168.05769 6763262.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3363 176.02615 779438.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3364 194.03688 1165217.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3365 210.01369 101590.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3366 228.02509 203533.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3367 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3368 FORMULA: C16H14N2O2S |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3369 INCHIKEY: XIGAUIHYSDTJHW-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3370 SMILES: O=C(N(c1ccccc1)C)COc1nc2c(s1)cccc2 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3371 NAME: Mefenacet |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3372 RETENTIONTIME: 7.143147 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3373 PRECURSORMZ: 299.0857 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3374 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3375 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3376 NUM PEAKS: 10 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3377 91.05441 4904942.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3378 93.07003 396728.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3379 95.04928 309109.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3380 103.05439 240325.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3381 105.05748 315163.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3382 118.06553 748880.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3383 120.081 20302168.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3384 136.02161 2145909.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3385 148.0759 2833957.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3386 152.01669 272045.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3387 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3388 FORMULA: C14H13NO7S |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3389 INCHIKEY: KPUREKXXPHOJQT-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3390 SMILES: O=C1CCCC(=O)C1C(=O)c1ccc(cc1N(=O)=O)S(=O)(=O)C |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3391 NAME: Mesotrione |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3392 RETENTIONTIME: 4.438974 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3393 PRECURSORMZ: 340.0492 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3394 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3395 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3396 NUM PEAKS: 21 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3397 92.0498 20384.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3398 94.02896 22521.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3399 95.01298 42541.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3400 104.01339 1414098.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3401 107.0131 68271.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3402 108.02079 22960.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3403 111.04435 27776.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3404 119.01284 29585.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3405 122.02398 38301.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3406 136.03949 15704.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3407 154.97983 175640.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3408 166.0137 179306.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3409 170.00336 47194.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3410 182.0032 34021.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3411 214.06305 78325.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3412 216.00862 81842.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3413 227.99644 875193.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3414 260.02258 25724.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3415 275.03772 37760.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3416 293.04776 19676.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3417 294.05606 18376.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3418 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3419 FORMULA: C11H21N5OS |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3420 INCHIKEY: DDUIUBPJPOKOMV-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3421 SMILES: COCCCN=c1nc(SC)[nH]c(=NC(C)C)[nH]1 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3422 NAME: Methoprotryne |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3423 RETENTIONTIME: 4.953537 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3424 PRECURSORMZ: 272.1545 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3425 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3426 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3427 NUM PEAKS: 15 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3428 91.03273 1224280.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3429 103.03277 469421.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3430 108.05575 1098439.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3431 116.0279 2387399.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3432 125.0825 7238442.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3433 150.07768 1073510.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3434 152.09319 544524.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3435 156.03424 386143.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3436 156.05936 523005.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3437 158.04967 579874.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3438 170.04977 30639952.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3439 198.08067 12326767.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3440 212.09639 2176296.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3441 230.10741 452827.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3442 240.1284 1276547.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3443 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3444 FORMULA: C8H14N4OS |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3445 INCHIKEY: FOXFZRUHNHCZPX-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3446 SMILES: CSc1nnc(c(=O)n1N)C(C)(C)C |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3447 NAME: Metribuzin |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3448 RETENTIONTIME: 4.458099 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3449 PRECURSORMZ: 215.0965 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3450 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3451 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3452 NUM PEAKS: 62 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3453 85.08886 22454.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3454 87.00137 169483.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3455 88.00926 84542.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3456 89.01718 426359.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3457 95.06072 92527.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3458 96.04461 50118.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3459 97.06514 96987.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3460 98.05901 20223.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3461 99.09205 39234.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3462 104.02791 100681.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3463 108.06841 101836.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3464 109.07641 56085.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3465 110.06014 53533.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3466 110.08431 26239.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3467 114.03733 55997.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3468 114.99636 118244.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3469 115.0202 36933.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3470 116.01549 91102.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3471 117.01186 22228.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3472 123.05569 75674.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3473 123.07951 19671.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3474 124.06344 40346.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3475 124.08718 18832.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3476 125.07124 54613.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3477 125.0825 115086.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3478 126.10277 28501.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3479 129.03598 19818.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3480 130.03105 252134.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3481 131.0276 22354.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3482 131.03888 1631897.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3483 139.03265 27241.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3484 139.09824 52072.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3485 140.04034 101100.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3486 141.03566 33429.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3487 141.04825 19469.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3488 143.06389 91872.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3489 144.03552 36694.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3490 145.05458 227341.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3491 147.91982 56049.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3492 147.93188 52360.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3493 147.93575 42677.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3494 147.94106 55028.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3495 153.07755 94895.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3496 154.04378 27710.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3497 155.05132 25496.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3498 155.06427 49916.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3499 156.05936 708006.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3500 157.04344 120558.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3501 157.05453 30768.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3502 168.02261 18988.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3503 170.07477 29338.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3504 171.05882 968992.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3505 171.07022 30976.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3506 171.08282 34546.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3507 172.07808 172693.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3508 173.50877 74710.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3509 182.03879 33707.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3510 183.04619 29308.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3511 184.05394 333698.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3512 186.08231 47791.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3513 187.10153 1851092.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3514 215.09644 112225.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3515 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3516 FORMULA: C10H19N5S |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3517 INCHIKEY: AAEVYOVXGOFMJO-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3518 SMILES: CSc1nc(=NC(C)C)[nH]c(=NC(C)C)[nH]1 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3519 NAME: Prometryne |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3520 RETENTIONTIME: 4.990861 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3521 PRECURSORMZ: 242.1439 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3522 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3523 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3524 NUM PEAKS: 15 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3525 85.05116 4457818.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3526 91.03273 8009682.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3527 96.05572 6069758.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3528 102.03746 367626.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3529 110.04619 4165152.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3530 110.0716 444450.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3531 113.0825 1093208.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3532 116.0279 11189147.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3533 138.07761 4951850.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3534 144.05917 3781341.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3535 158.04646 408855.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3536 158.04967 34215304.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3537 173.50693 425480.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3538 186.08095 16656961.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3539 200.09659 2036050.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3540 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3541 FORMULA: C19H25N2OClS |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3542 INCHIKEY: DWFZBUWUXWZWKD-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3543 SMILES: O=c1c(Cl)c(SCc2ccc(cc2)C(C)(C)C)cnn1C(C)(C)C |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3544 NAME: Pyridaben |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3545 RETENTIONTIME: 7.556859 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3546 PRECURSORMZ: 365.1459 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3547 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3548 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3549 NUM PEAKS: 3 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3550 147.11726 1746679.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3551 309.0834 39061400.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3552 365.14478 6893662.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3553 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3554 FORMULA: C8H15N5S |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3555 INCHIKEY: MGLWZSOBALDPEK-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3556 SMILES: CCN=c1nc(SC)[nH]c(=NCC)[nH]1 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3557 NAME: Simetryn |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3558 RETENTIONTIME: 3.75983 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3559 PRECURSORMZ: 214.1124 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3560 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3561 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3562 NUM PEAKS: 12 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3563 91.03273 299056.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3564 96.05597 10435853.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3565 102.03746 159989.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3566 113.0825 349517.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3567 116.0279 6039216.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3568 124.08718 4340512.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3569 138.07761 424357.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3570 144.05917 2698291.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3571 158.04967 123923.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3572 166.10905 576911.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3573 186.08095 411980.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3574 214.11266 506708.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3575 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3576 FORMULA: C11H10N4O3Cl2F2S |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3577 INCHIKEY: OORLZFUTLGXMEF-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3578 SMILES: Clc1cc(Cl)c(cc1n1nc(n(c1=O)C(F)F)C)NS(=O)(=O)C |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3579 NAME: Sulfentrazone |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3580 RETENTIONTIME: 4.825635 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3581 PRECURSORMZ: 386.99 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3582 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3583 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3584 NUM PEAKS: 48 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3585 92.03084 36986.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3586 109.9793 24541.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3587 111.99506 13105.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3588 127.99009 18850.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3589 136.99023 73690.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3590 139.00583 127950.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3591 145.95616 142592.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3592 146.00066 61013.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3593 146.96414 17631.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3594 149.04001 58665.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3595 155.00107 516575.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3596 157.95639 179021.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3597 163.96677 638082.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3598 172.96719 294246.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3599 173.50693 15383.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3600 173.95125 25670.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3601 173.97466 222766.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3602 175.96661 26415.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3603 178.01723 464585.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3604 180.03255 13838.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3605 182.01176 108423.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3606 186.98276 774653.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3607 190.97755 43534.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3608 198.94617 336099.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3609 200.96233 30494.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3610 212.00275 22753.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3611 213.9933 128858.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3612 218.9523 26640.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3613 221.02235 12118.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3614 222.03113 12834.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3615 223.03876 132014.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3616 226.96516 14865.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3617 232.00861 308335.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3618 245.96388 122236.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3619 246.97118 31675.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3620 256.99966 41655.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3621 258.00772 138182.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3622 271.01935 68960.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3623 272.02798 110904.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3624 273.035 1123625.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3625 274.04276 16257.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3626 279.98544 298347.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3627 286.99054 64325.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3628 287.99789 19349.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3629 289.03033 15241.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3630 306.99692 72556.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3631 308.00412 68794.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3632 336.99271 19232.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3633 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3634 FORMULA: C10H19N5S |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3635 INCHIKEY: IROINLKCQGIITA-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3636 SMILES: CCN=c1nc([nH]c(n1)SC)NC(C)(C)C |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3637 NAME: Terbutryn |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3638 RETENTIONTIME: 4.990861 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3639 PRECURSORMZ: 242.1439 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3640 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3641 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3642 NUM PEAKS: 15 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3643 85.05116 4457818.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3644 91.03273 8009682.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3645 96.05572 6069758.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3646 102.03746 367626.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3647 110.04619 4165152.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3648 110.0716 444450.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3649 113.0825 1093208.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3650 116.0279 11189147.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3651 138.07761 4951850.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3652 144.05917 3781341.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3653 158.04646 408855.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3654 158.04967 34215304.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3655 173.50693 425480.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3656 186.08095 16656961.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3657 200.09659 2036050.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3658 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3659 FORMULA: C10H7N3S |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3660 INCHIKEY: WJCNZQLZVWNLKY-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3661 SMILES: c1scc(n1)c1nc2c([nH]1)cccc2 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3662 NAME: Thiabendazole |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3663 RETENTIONTIME: 2.44406 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3664 PRECURSORMZ: 202.0437 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3665 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3666 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3667 NUM PEAKS: 7 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3668 92.0498 482307.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3669 131.06062 3699935.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3670 143.06068 408061.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3671 158.07153 301732.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3672 170.07179 139529.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3673 175.03255 9873992.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3674 202.04396 3731232.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3675 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3676 FORMULA: C10H9N4ClS |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3677 INCHIKEY: HOKKPVIRMVDYPB-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3678 SMILES: N#CN=C1SCCN1Cc1ccc(nc1)Cl |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3679 NAME: Thiacloprid |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3680 RETENTIONTIME: 4.159843 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3681 PRECURSORMZ: 253.0315 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3682 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3683 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3684 NUM PEAKS: 6 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3685 90.03403 1177314.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3686 91.04182 256154.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3687 98.99973 1052050.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3688 108.0446 146293.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3689 126.01085 11655971.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3690 144.02113 633179.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3691 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3692 FORMULA: C8H10N5O3ClS |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3693 INCHIKEY: NWWZPOKUUAIXIW-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3694 SMILES: CN1COCN(C1=NN(=O)=O)Cc1cnc(s1)Cl |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3695 NAME: Thiamethoxam |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3696 RETENTIONTIME: 2.35524 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3697 PRECURSORMZ: 292.0273 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3698 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3699 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3700 NUM PEAKS: 10 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3701 131.96729 856494.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3702 174.9729 61417.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3703 180.04681 65222.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3704 181.0547 129376.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3705 210.05699 499700.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3706 211.06477 3262623.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3707 245.02655 33196.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3708 246.0343 359117.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3709 248.02554 112237.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3710 292.02722 584625.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3711 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3712 FORMULA: C9H7N3S |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3713 INCHIKEY: DQJCHOQLCLEDLL-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3714 SMILES: Cc1cccc2c1n1cnnc1s2 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3715 NAME: Tricyclazole |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3716 RETENTIONTIME: 5.514598 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3717 PRECURSORMZ: 190.0439 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3718 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3719 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3720 NUM PEAKS: 10 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3721 92.0498 1103195.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3722 109.01101 3220386.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3723 119.06059 619856.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3724 127.02138 192273.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3725 129.04501 178061.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3726 130.04021 316945.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3727 136.02161 16492967.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3728 137.01691 212259.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3729 163.03258 14491751.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3730 190.04391 4390148.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3731 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3732 FORMULA: C17H12N2OCl2 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3733 INCHIKEY: NHOWDZOIZKMVAI-KRWDZBQOSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3734 SMILES: Clc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3735 NAME: Fenarimol |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3736 RETENTIONTIME: 6.876775 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3737 PRECURSORMZ: 331.0412 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3738 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3739 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3740 NUM PEAKS: 60 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3741 129.01041 62692.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3742 138.99483 4713270.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3743 139.00581 348352.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3744 140.02657 87193.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3745 149.01559 101793.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3746 156.06877 160067.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3747 157.07619 145321.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3748 160.97346 447898.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3749 161.97681 363570.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3750 164.0265 120667.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3751 165.07053 109460.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3752 178.07843 118150.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3753 183.0555 74353.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3754 184.06332 56066.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3755 185.07138 63091.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3756 189.07033 2498508.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3757 192.02161 92048.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3758 192.04518 47251.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3759 199.0313 150848.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3760 200.03886 96007.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3761 203.07297 92058.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3762 204.08092 678200.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3763 205.06487 253030.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3764 205.08929 197254.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3765 206.07339 64967.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3766 212.03918 81877.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3767 216.08105 187436.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3768 217.06558 157687.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3769 219.0323 135275.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3770 220.0406 48463.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3771 223.03162 1274143.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3772 224.03886 340107.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3773 225.04663 54849.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3774 231.0923 53552.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3775 232.07594 380360.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3776 232.09967 52199.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3777 232.99239 244669.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3778 233.08405 997290.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3779 235.00783 124586.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3780 238.04195 729158.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3781 240.05751 690775.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3782 241.04176 517674.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3783 241.06586 115853.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3784 242.08463 143951.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3785 243.09258 198185.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3786 250.04214 378960.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3787 251.0031 434485.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3788 251.02657 76166.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3789 251.05006 585923.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3790 252.03401 1565574.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3791 259.00827 2379846.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3792 259.08661 47950.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3793 266.03717 318342.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3794 267.04504 216878.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3795 267.06848 215642.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3796 268.05276 3869425.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3797 276.03445 91579.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3798 277.0527 143152.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3799 278.06161 515869.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3800 279.06857 114232.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3801 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3802 FORMULA: C19H17N4Cl |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3803 INCHIKEY: RQDJADAKIFFEKQ-IBGZPJMESA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3804 SMILES: N#CC(c1ccccc1)(Cn1cncn1)CCc1ccc(cc1)Cl |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3805 NAME: Fenbuconazole |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3806 RETENTIONTIME: 7.045859 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3807 PRECURSORMZ: 337.1223 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3808 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3809 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3810 NUM PEAKS: 9 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3811 89.03882 491858.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3812 91.05441 1708709.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3813 103.05439 763259.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3814 125.01532 31583906.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3815 128.062 614101.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3816 129.07021 1018109.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3817 139.0309 716816.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3818 155.06064 335216.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3819 163.0309 736285.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3820 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3821 FORMULA: C16H8N5OCl2F |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3822 INCHIKEY: IJJVMEJXYNJXOJ-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3823 SMILES: Clc1ccc(c(c1)Cl)n1c(nc2c(c1=O)cc(cc2)F)n1cncn1 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3824 NAME: Fluquinconazole |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3825 RETENTIONTIME: 7.093534 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3826 PRECURSORMZ: 376.0173 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3827 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3828 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3829 NUM PEAKS: 22 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3830 108.02471 848273.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3831 123.99523 983397.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3832 126.03514 85852.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3833 158.97679 294325.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3834 163.03033 1264696.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3835 181.04097 120423.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3836 195.05714 105799.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3837 243.01224 134077.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3838 244.01985 783328.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3839 251.97818 94741.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3840 272.01474 3792436.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3841 278.98978 1325774.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3842 279.97287 100928.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3843 287.02576 171499.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3844 306.98392 7738432.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3845 313.02911 148350.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3846 314.03632 96754.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3847 324.99539 291864.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3848 331.97888 91552.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3849 339.01056 449848.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3850 349.00613 731296.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3851 349.98984 271485.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3852 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3853 FORMULA: C16H13N3OF2 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3854 INCHIKEY: JWUCHKBSVLQQCO-INIZCTEOSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3855 SMILES: Fc1ccc(cc1)C(c1ccccc1F)(Cn1cncn1)O |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3856 NAME: Flutriafol |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3857 RETENTIONTIME: 5.240544 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3858 PRECURSORMZ: 302.1111 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3859 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3860 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3861 NUM PEAKS: 11 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3862 109.04492 5549990.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3863 113.03991 603136.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3864 123.02199 197823.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3865 123.02419 14667272.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3866 123.03517 2231147.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3867 137.03973 187845.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3868 165.06996 216662.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3869 194.05283 196543.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3870 195.06081 577107.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3871 214.05884 311976.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3872 215.0668 353163.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3873 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3874 FORMULA: C11H8N2O |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3875 INCHIKEY: UYJUZNLFJAWNEZ-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3876 SMILES: c1coc(c1)c1nc2c([nH]1)cccc2 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3877 NAME: Fuberidazole |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3878 RETENTIONTIME: 2.456748 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3879 PRECURSORMZ: 185.0715 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3880 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3881 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3882 NUM PEAKS: 15 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3883 92.0498 2714348.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3884 103.05439 924742.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3885 118.05279 1356359.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3886 119.06059 1561269.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3887 128.04956 416024.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3888 129.04501 934098.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3889 129.05762 1711080.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3890 130.06528 5627980.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3891 131.06062 2006719.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3892 142.05298 1703655.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3893 143.06068 769483.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3894 155.06064 2222038.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3895 156.06877 35950644.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3896 157.07619 39653584.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3897 185.0714 6790632.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3898 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3899 FORMULA: C15H18N3OCl |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3900 INCHIKEY: UFNOUKDBUJZYDE-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3901 SMILES: CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3902 NAME: Cyproconazole_1 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3903 RETENTIONTIME: 6.138374 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3904 PRECURSORMZ: 292.122 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3905 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3906 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3907 NUM PEAKS: 4 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3908 89.03882 111896.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3909 125.01532 6537308.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3910 138.99483 329090.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3911 139.00581 166501.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3912 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3913 FORMULA: C15H18N3OCl |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3914 INCHIKEY: UFNOUKDBUJZYDE-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3915 SMILES: CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3916 NAME: Cyproconazole_2 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3917 RETENTIONTIME: 6.36811 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3918 PRECURSORMZ: 292.1225 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3919 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3920 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3921 NUM PEAKS: 4 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3922 89.03882 144933.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3923 125.01532 8553550.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3924 138.99483 403028.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3925 139.00581 198856.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3926 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3927 FORMULA: C15H19N3OCl2 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3928 INCHIKEY: URDNHJIVMYZFRT-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3929 SMILES: Clc1ccc(c(c1)Cl)CC(C(C(C)(C)C)O)n1cncn1 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3930 NAME: Diclobutrazol |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3931 RETENTIONTIME: 6.830443 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3932 PRECURSORMZ: 328.0983 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3933 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3934 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3935 NUM PEAKS: 11 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3936 122.99965 485826.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3937 125.01532 529574.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3938 137.01562 496542.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3939 158.97626 45675696.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3940 164.03891 599051.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3941 172.9556 1689517.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3942 172.99223 1044544.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3943 174.97104 486149.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3944 186.97108 498843.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3945 190.96622 746907.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3946 199.00793 579087.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3947 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3948 FORMULA: C19H17N3O3Cl2 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3949 INCHIKEY: BQYJATMQXGBDHF-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3950 SMILES: CC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Oc1ccc(cc1)Cl |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3951 NAME: Difenoconazole |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3952 RETENTIONTIME: 7.351549 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3953 PRECURSORMZ: 406.0727 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3954 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3955 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3956 NUM PEAKS: 13 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3957 129.07021 341601.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3958 139.00626 338485.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3959 141.01048 334473.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3960 152.06247 924840.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3961 153.07042 500230.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3962 181.06517 598188.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3963 187.03149 1315167.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3964 188.03915 3752594.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3965 215.02702 454036.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3966 216.03418 363614.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3967 223.00838 2665156.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3968 251.0031 32513990.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3969 264.98291 3756956.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3970 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3971 FORMULA: C15H17N3OCl2 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3972 INCHIKEY: FBOUIAKEJMZPQG-CQSZACIVSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3973 SMILES: Clc1ccc(c(c1)Cl)C=C(C(C(C)(C)C)O)n1cncn1 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3974 NAME: Diniconazole |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3975 RETENTIONTIME: 6.999194 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3976 PRECURSORMZ: 326.0832 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3977 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3978 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3979 NUM PEAKS: 52 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3980 87.0807 115189.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3981 110.0716 52760.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3982 123.00002 65949.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3983 136.00755 116731.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3984 137.01562 125799.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3985 141.07028 87788.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3986 143.08594 53581.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3987 145.0649 52799.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3988 148.08749 54447.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3989 150.02344 61653.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3990 153.07042 57255.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3991 154.07816 75541.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3992 158.97679 4013011.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3993 162.0233 223821.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3994 164.03891 43958.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3995 165.01022 141964.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3996 166.0183 79777.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3997 169.10155 324107.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3998 170.97658 348553.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
3999 172.95621 929271.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4000 172.96719 160833.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4001 172.99223 196389.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4002 175.0313 83110.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4003 176.03931 389366.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4004 179.02609 125863.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4005 180.03384 98155.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4006 182.07175 55824.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4007 182.97643 126111.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4008 184.99236 46623.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4009 185.98766 43685.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4010 189.0215 81465.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4011 189.04662 463062.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4012 190.02985 105876.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4013 191.02502 124599.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4014 193.04185 237565.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4015 196.99208 133380.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4016 203.03725 47288.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4017 203.06287 40626.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4018 204.07076 337511.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4019 205.01678 42726.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4020 207.0574 131489.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4021 209.9998 62865.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4022 216.03247 187324.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4023 217.0407 287524.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4024 224.01547 69804.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4025 230.04839 54464.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4026 234.04297 67828.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4027 240.0096 86885.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4028 252.00932 126391.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4029 264.0097 43206.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4030 270.01987 48934.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4031 278.02554 102202.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4032 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4033 FORMULA: C17H13N3OClF |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4034 INCHIKEY: ZMYFCFLJBGAQRS-IAGOWNOFSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4035 SMILES: Fc1ccc(cc1)C1(Cn2cncn2)OC1c1ccccc1Cl |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4036 NAME: Epoxiconazole |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4037 RETENTIONTIME: 6.999194 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4038 PRECURSORMZ: 330.0806 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4039 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4040 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4041 NUM PEAKS: 12 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4042 91.05464 783917.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4043 101.03878 454726.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4044 113.01572 623551.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4045 113.04023 604178.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4046 119.04978 1591248.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4047 121.04307 362239.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4048 121.04521 27069946.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4049 123.02455 5942544.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4050 123.03517 2030362.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4051 129.04501 7068444.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4052 138.99483 468356.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4053 141.01048 1219612.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4054 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4055 FORMULA: C14H15N3O2Cl2 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4056 INCHIKEY: DWRKFAJEBUWTQM-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4057 SMILES: CCC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Cl |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4058 NAME: Etaconazole |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4059 RETENTIONTIME: 6.802904 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4060 PRECURSORMZ: 328.0626 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4061 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4062 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4063 NUM PEAKS: 10 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4064 122.99965 480348.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4065 125.01532 599928.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4066 137.01562 455760.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4067 158.97626 39434140.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4068 164.03891 610435.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4069 172.9556 1469728.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4070 172.99223 970218.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4071 174.97166 597883.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4072 190.96622 527039.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4073 199.00793 567443.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4074 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4075 FORMULA: C11H19N3O |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4076 INCHIKEY: BBXXLROWFHWFQY-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4077 SMILES: CCCCc1c(O)nc(=NCC)[nH]c1C |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4078 NAME: Ethirimol |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4079 RETENTIONTIME: 2.246086 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4080 PRECURSORMZ: 210.1608 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4081 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4082 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4083 NUM PEAKS: 32 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4084 93.07027 325229.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4085 95.06072 869968.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4086 95.08585 891568.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4087 96.0446 781962.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4088 97.03999 1008744.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4089 98.06031 16588468.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4090 105.07019 215544.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4091 107.07314 1858556.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4092 109.0761 345145.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4093 110.06044 242964.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4094 110.0716 341679.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4095 110.09671 170712.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4096 111.07922 353713.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4097 112.11221 261603.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4098 114.06642 269861.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4099 120.081 391118.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4100 122.07138 761007.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4101 122.08405 230087.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4102 122.09672 693029.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4103 123.05569 456004.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4104 124.06344 347297.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4105 138.06627 3057256.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4106 139.07446 2046408.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4107 140.10709 14705233.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4108 150.10286 1256237.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4109 152.08211 570565.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4110 165.10242 2897067.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4111 166.09755 407251.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4112 167.10577 1091732.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4113 182.12912 2661313.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4114 193.13402 1554662.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4115 210.15997 2414378.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4116 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4117 FORMULA: C14H17N3OCl2 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4118 INCHIKEY: STMIIPIFODONDC-AWEZNQCLSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4119 SMILES: CCCCC(c1ccc(cc1Cl)Cl)(Cn1cncn1)O |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4120 NAME: Hexaconazole |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4121 RETENTIONTIME: 6.793731 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4122 PRECURSORMZ: 314.0833 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4123 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4124 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4125 NUM PEAKS: 16 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4126 115.05463 149487.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4127 123.00002 104704.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4128 125.0157 1580755.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4129 129.01041 156034.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4130 136.00755 162737.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4131 139.00626 458884.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4132 146.97656 554008.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4133 149.01559 424582.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4134 150.02344 1003022.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4135 153.01047 351412.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4136 158.97679 7629371.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4137 170.97658 545468.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4138 172.99223 112377.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4139 174.97166 740773.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4140 184.99236 690533.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4141 188.98734 151249.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4142 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4143 FORMULA: C18H24N3OCl |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4144 INCHIKEY: QTYCMDBMOLSEAM-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4145 SMILES: CC(C1CCC(C1(O)Cn1ncnc1)Cc1ccc(cc1)Cl)C |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4146 NAME: Ipconazole |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4147 RETENTIONTIME: 7.112235 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4148 PRECURSORMZ: 334.1694 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4149 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4150 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4151 NUM PEAKS: 18 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4152 89.03882 79221.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4153 95.08585 152078.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4154 109.10148 351087.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4155 115.05463 110112.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4156 116.06245 125067.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4157 125.01532 7756546.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4158 128.06239 168573.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4159 130.078 83461.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4160 139.03134 219182.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4161 142.07797 176298.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4162 149.01559 120448.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4163 151.03107 544953.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4164 155.06064 99629.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4165 156.09335 164234.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4166 163.0309 672001.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4167 165.04663 173374.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4168 177.04655 269267.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4169 191.06258 291856.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4170 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4171 FORMULA: C17H22N3OCl |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4172 INCHIKEY: XWPZUHJBOLQNMN-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4173 SMILES: OC1(Cn2ncnc2)C(CCC1(C)C)Cc1ccc(cc1)Cl |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4174 NAME: Metconazole |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4175 RETENTIONTIME: 7.017605 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4176 PRECURSORMZ: 320.1538 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4177 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4178 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4179 NUM PEAKS: 13 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4180 95.08585 468079.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4181 107.08563 155599.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4182 125.01532 7873925.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4183 128.06239 109318.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4184 139.0309 414801.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4185 141.07028 83342.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4186 142.07797 413140.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4187 151.03107 437268.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4188 156.09335 90865.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4189 163.0309 398692.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4190 165.04663 82686.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4191 177.04655 645875.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4192 191.06258 194319.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4193 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4194 FORMULA: C17H12N2OClF |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4195 INCHIKEY: SAPGTCDSBGMXCD-KRWDZBQOSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4196 SMILES: Fc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4197 NAME: Nuarimol |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4198 RETENTIONTIME: 6.452959 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4199 PRECURSORMZ: 315.0705 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4200 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4201 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4202 NUM PEAKS: 59 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4203 113.03991 15277.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4204 123.02419 689099.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4205 123.03554 68936.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4206 128.04956 14564.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4207 129.01041 14843.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4208 133.0451 22041.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4209 138.99483 1332636.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4210 139.00581 94456.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4211 140.02657 19300.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4212 146.06032 14189.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4213 148.05606 39683.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4214 149.01559 14981.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4215 155.06064 19858.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4216 156.06824 55221.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4217 157.07619 36997.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4218 164.0265 18608.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4219 175.06673 21221.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4220 176.05058 19072.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4221 177.06996 49682.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4222 183.0555 30209.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4223 183.06081 88118.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4224 184.06332 19768.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4225 184.06868 59202.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4226 196.06854 97299.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4227 197.07671 61139.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4228 203.0621 35166.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4229 204.06998 19803.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4230 204.08092 49291.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4231 205.06487 29754.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4232 207.06059 882384.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4233 208.0686 634275.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4234 209.07669 25592.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4235 217.0218 165488.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4236 219.03754 41019.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4237 222.07198 384808.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4238 223.03162 30017.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4239 223.0799 43854.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4240 224.08748 416242.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4241 225.07111 247098.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4242 225.09467 22048.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4243 231.03761 14704.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4244 232.07594 99246.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4245 234.07179 197210.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4246 235.032 192527.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4247 235.05521 28642.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4248 235.07939 264307.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4249 236.06332 486776.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4250 242.08463 14147.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4251 243.03766 1030291.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4252 250.06654 105369.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4253 251.07462 143926.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4254 251.0981 73184.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4255 252.08234 1413294.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4256 260.06421 35847.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4257 261.08243 111553.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4258 262.0907 121243.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4259 263.09796 32958.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4260 269.04013 16405.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4261 270.04846 16960.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4262 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4263 FORMULA: C15H20N3OCl |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4264 INCHIKEY: RMOGWMIKYWRTKW-UONOGXRCSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4265 SMILES: OC(C(C)(C)C)C(n1ncnc1)Cc1ccc(cc1)Cl |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4266 NAME: Paclobutrazol |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4267 RETENTIONTIME: 6.358851 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4268 PRECURSORMZ: 294.1362 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4269 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4270 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4271 NUM PEAKS: 22 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4272 87.0807 394679.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4273 89.03882 144548.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4274 91.05441 100589.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4275 95.04928 72012.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4276 102.04659 60868.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4277 103.05439 512214.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4278 113.0154 191248.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4279 115.0543 61507.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4280 116.06211 61856.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4281 125.01532 6037114.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4282 126.01882 85997.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4283 127.01254 4019573.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4284 129.07021 226797.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4285 130.078 602958.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4286 137.01562 331896.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4287 139.0309 780894.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4288 140.99162 137268.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4289 141.00285 65567.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4290 141.01048 108664.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4291 151.03107 202825.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4292 165.04663 986782.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4293 173.50876 86407.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4294 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4295 FORMULA: C13H15N3Cl2 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4296 INCHIKEY: WKBPZYKAUNRMKP-JTQLQIEISA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4297 SMILES: CCCC(c1ccc(cc1Cl)Cl)Cn1cncn1 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4298 NAME: Penconazole |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4299 RETENTIONTIME: 6.747501 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4300 PRECURSORMZ: 284.0724 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4301 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4302 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4303 NUM PEAKS: 5 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4304 102.04659 746383.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4305 122.99965 1405085.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4306 137.01562 2859486.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4307 158.97626 62049868.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4308 172.99223 3885430.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4309 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4310 FORMULA: C15H17N3O2Cl2 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4311 INCHIKEY: STJLVHWMYQXCPB-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4312 SMILES: CCCC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Cl |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4313 NAME: Propiconazole |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4314 RETENTIONTIME: 6.999194 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4315 PRECURSORMZ: 342.0777 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4316 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4317 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4318 NUM PEAKS: 5 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4319 122.99965 303053.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4320 158.97626 24240670.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4321 172.9556 1323126.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4322 186.97108 391981.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4323 190.96622 431621.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4324 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4325 FORMULA: C16H22N3OCl |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4326 INCHIKEY: PXMNMQRDXWABCY-INIZCTEOSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4327 SMILES: Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4328 NAME: Tebuconazole |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4329 RETENTIONTIME: 6.933391 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4330 PRECURSORMZ: 308.1532 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4331 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4332 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4333 NUM PEAKS: 15 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4334 89.03882 78455.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4335 103.05439 150981.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4336 115.0543 806550.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4337 116.06211 1104744.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4338 125.01532 7312966.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4339 129.07021 192428.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4340 130.078 394675.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4341 133.06488 89665.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4342 137.01562 81241.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4343 139.0309 552019.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4344 143.06068 143813.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4345 144.09352 109186.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4346 151.03107 2225088.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4347 165.04663 474739.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4348 179.0621 93619.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4349 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4350 FORMULA: C13H11N3OCl2F4 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4351 INCHIKEY: LQDARGUHUSPFNL-QMMMGPOBSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4352 SMILES: Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(F)F)(F)F |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4353 NAME: Tetraconazole |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4354 RETENTIONTIME: 6.434036 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4355 PRECURSORMZ: 372.0302 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4356 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4357 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4358 NUM PEAKS: 6 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4359 115.05463 210733.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4360 149.01559 493803.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4361 150.02344 1143618.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4362 158.97679 15780315.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4363 176.96693 301907.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4364 184.99236 249943.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4365 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4366 FORMULA: C15H15N3OClF3 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4367 INCHIKEY: HSMVPDGQOIQYSR-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4368 SMILES: CCCOCC(=Nc1ccc(cc1C(F)(F)F)Cl)n1cncc1 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4369 NAME: Triflumizole |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4370 RETENTIONTIME: 6.821252 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4371 PRECURSORMZ: 346.094 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4372 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4373 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4374 NUM PEAKS: 2 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4375 278.05542 29552484.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4376 346.09351 955540.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4377 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4378 FORMULA: C17H20N3OCl |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4379 INCHIKEY: PPDBOQMNKNNODG-QGZVFWFLSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4380 SMILES: OC1(Cn2ncnc2)C(=Cc2ccc(cc2)Cl)CCC1(C)C |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4381 NAME: Triticonazole |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4382 RETENTIONTIME: 6.793731 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4383 PRECURSORMZ: 318.1369 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4384 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4385 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4386 NUM PEAKS: 59 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4387 89.03882 57349.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4388 91.05464 43853.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4389 95.04953 68354.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4390 95.08585 78735.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4391 105.04505 52373.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4392 105.07019 44975.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4393 109.06509 75668.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4394 109.10148 51915.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4395 113.01572 53023.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4396 115.05463 68376.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4397 123.0806 45319.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4398 124.08866 67815.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4399 125.0157 4347652.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4400 127.01254 310325.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4401 128.06239 303332.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4402 130.078 46406.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4403 138.99483 44710.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4404 139.03134 105057.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4405 141.0033 76537.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4406 141.01048 71845.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4407 141.07028 162099.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4408 142.07797 64263.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4409 145.0649 84426.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4410 149.01559 164192.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4411 150.97079 108504.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4412 151.01263 78052.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4413 151.03107 81877.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4414 152.0202 168874.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4415 152.06247 59642.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4416 153.06992 138585.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4417 154.07816 168480.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4418 155.00728 52088.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4419 155.06064 174636.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4420 155.07307 63253.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4421 155.08603 105852.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4422 156.09389 497246.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4423 160.97346 52002.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4424 161.97681 59631.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4425 162.0233 93274.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4426 162.97058 1449389.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4427 163.0309 743940.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4428 165.04663 51233.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4429 165.06996 567265.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4430 166.07343 191274.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4431 167.0768 126513.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4432 167.08606 45824.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4433 174.97041 93433.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4434 175.0313 553302.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4435 176.03931 76155.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4436 177.04655 73758.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4437 178.96568 128779.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4438 181.10179 157033.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4439 185.07611 76498.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4440 188.98663 142622.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4441 189.04662 686868.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4442 189.05568 66741.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4443 190.04179 48399.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4444 191.06258 581232.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4445 196.12456 74697.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4446 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4447 FORMULA: C43H69NO10 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4448 INCHIKEY: KWVYSEWJJXXTEZ-GDMNSMANSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4449 SMILES: CCOC1C(OC)C(OC2CC3C(C2)C(=CC2C3C=C3C2CC(=O)OC(CC)CCCC(C(C3=O)C)OC2CCC(C(O2)C)N(C)C)C)OC(C1OC)C |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4450 NAME: Spinetoram L |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4451 RETENTIONTIME: 6.970665 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4452 PRECURSORMZ: 760.5021 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4453 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4454 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4455 NUM PEAKS: 21 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4456 85.06505 76410.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4457 87.04429 159491.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4458 95.04928 101292.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4459 97.06514 990457.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4460 98.09655 3217928.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4461 99.04415 293676.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4462 99.08067 604833.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4463 101.06004 88798.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4464 111.04435 94328.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4465 115.0755 369305.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4466 124.11241 164399.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4467 125.05997 306356.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4468 127.07556 185334.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4469 142.12299 6861919.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4470 157.08623 113064.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4471 160.13321 150610.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4472 169.10155 133452.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4473 173.50752 93996.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4474 183.11732 117521.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4475 211.11166 121662.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4476 213.09132 89441.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4477 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4478 FORMULA: C49H75NO13 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4479 INCHIKEY: GCKZANITAMOIAR-XWVCPFKXSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4480 SMILES: CCC(C1OC2(C=CC1C)OC1CC=C(C)C(OC3CC(OC)C(C(O3)C)OC3CC(OC)C(C(O3)C)NC)C(C)C=CC=C3C4(C(C(=O)OC(C2)C1)C=C(C)C(C4OC3)O)O)C |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4481 NAME: Emamectin benzoate |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4482 RETENTIONTIME: 6.999389 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4483 PRECURSORMZ: 886.5328 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4484 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4485 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4486 NUM PEAKS: 11 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4487 95.04928 292923.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4488 98.06031 268499.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4489 108.08107 688810.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4490 109.10148 229513.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4491 114.0916 233366.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4492 119.08569 201386.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4493 123.11689 375128.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4494 126.09174 1876739.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4495 140.10709 213152.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4496 158.11794 18414448.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4497 173.50876 230972.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4498 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4499 FORMULA: C20H33NO |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4500 INCHIKEY: RYAUSSKQMZRMAI-ALOPSCKCSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4501 SMILES: CC(Cc1ccc(cc1)C(C)(C)C)CN1CC(C)OC(C1)C |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4502 NAME: Fenpropimorph |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4503 RETENTIONTIME: 4.613603 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4504 PRECURSORMZ: 304.2642 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4505 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4506 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4507 NUM PEAKS: 14 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4508 91.05441 1025363.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4509 98.09655 5764430.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4510 102.09142 427096.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4511 105.0699 3838997.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4512 107.08563 608609.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4513 116.10709 2962134.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4514 117.06997 1187727.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4515 119.08569 5923314.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4516 130.1226 4460902.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4517 132.09351 5501752.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4518 145.10147 350602.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4519 147.11678 29169826.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4520 161.13254 881881.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4521 304.26379 2555976.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4522 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4523 FORMULA: C21H24O4Cl2 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4524 INCHIKEY: DTDSAWVUFPGDMX-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4525 SMILES: CCC(C(=O)OC1=C(C(=O)OC21CCCCC2)c1cc(Cl)cc(c1)Cl)(C)C |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4526 NAME: Spirodiclofen |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4527 RETENTIONTIME: 7.279784 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4528 PRECURSORMZ: 411.1127 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4529 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4530 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4531 NUM PEAKS: 3 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4532 313.03357 548684.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4533 313.03952 12618725.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4534 411.11246 2380661.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4535 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4536 FORMULA: C41H65NO10 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4537 INCHIKEY: SRJQTHAZUNRMPR-SFGMUSMWSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4538 SMILES: CCC1CCCC(OC2CCC(C(O2)C)N(C)C)C(C)C(=O)C2=CC3C(C2CC(=O)O1)C=CC1C3CC(C1)OC1OC(C)C(C(C1OC)OC)OC |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4539 NAME: Spinosad |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4540 RETENTIONTIME: 6.884336 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4541 PRECURSORMZ: 732.4695 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4542 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4543 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4544 NUM PEAKS: 24 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4545 85.06505 290872.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4546 95.08585 281431.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4547 97.06514 4107321.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4548 98.09655 11811636.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4549 99.04415 1980639.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4550 99.08067 1702591.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4551 101.05976 1777858.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4552 113.05991 355791.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4553 115.0755 428942.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4554 124.11241 549097.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4555 125.05997 1372437.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4556 129.09106 504378.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4557 142.12299 24420248.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4558 145.08598 799808.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4559 155.08551 1085827.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4560 157.08623 650576.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4561 160.13321 457492.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4562 169.10155 538427.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4563 173.50937 310025.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4564 183.08075 246373.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4565 197.09599 753984.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4566 199.07574 416158.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4567 201.0916 354498.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4568 225.09103 339682.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4569 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4570 FORMULA: C21H27NO5 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4571 INCHIKEY: CLSVJBIHYWPGQY-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4572 SMILES: CCOC(=O)OC1=C(C(=NC21CCC(CC2)OC)O)c1cc(C)ccc1C |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4573 NAME: Spirotetramat |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4574 RETENTIONTIME: 6.637813 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4575 PRECURSORMZ: 374.1972 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4576 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4577 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4578 NUM PEAKS: 25 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4579 117.07031 3145654.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4580 119.08569 1788706.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4581 131.08598 559926.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4582 143.08594 1443391.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4583 145.06535 755443.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4584 145.10147 3741174.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4585 147.08087 660014.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4586 155.08603 1939864.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4587 157.10155 488130.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4588 160.11253 518572.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4589 169.10155 615151.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4590 173.06003 2045691.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4591 173.09608 1047769.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4592 182.10933 614118.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4593 183.11732 922964.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4594 188.10699 1101991.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4595 192.09375 469162.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4596 197.13313 1231311.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4597 207.11739 667038.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4598 216.10236 45921764.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4599 225.12729 615992.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4600 244.13345 5845476.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4601 253.12317 483222.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4602 270.14972 5260680.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4603 302.17508 467268.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4604 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4605 FORMULA: C42H69NO10 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4606 INCHIKEY: GOENIMGKWNZVDA-RWGFPKGXSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4607 SMILES: CCOC1C(OC)C(OC2CC3C(C2)C2C=C4C(C2CC3)CC(=O)OC(CC)CCCC(C(C4=O)C)OC2CCC(C(O2)C)N(C)C)OC(C1OC)C |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4608 NAME: Spinetoram J |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4609 RETENTIONTIME: 6.875065 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4610 PRECURSORMZ: 748.4996 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4611 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4612 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4613 NUM PEAKS: 19 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4614 87.04429 367892.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4615 95.04928 288081.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4616 97.06488 2777411.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4617 98.09655 8992013.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4618 99.04415 801171.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4619 99.08067 1598443.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4620 111.04435 203657.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4621 115.0755 975367.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4622 124.11241 446241.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4623 125.05997 894301.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4624 127.07556 507677.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4625 142.12299 18851726.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4626 157.08623 430463.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4627 157.10155 1058798.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4628 160.13321 524113.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4629 171.11707 230127.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4630 199.11194 246050.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4631 203.10715 581698.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4632 217.12222 236328.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4633 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4634 FORMULA: C25H24N4F6 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4635 INCHIKEY: IQVNEKKDSLOHHK-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4636 SMILES: CC1(C)CNC(=NC1)NN=C(C=Cc1ccc(cc1)C(F)(F)F)C=Cc1ccc(cc1)C(F)(F)F |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4637 NAME: Hydramethylnon |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4638 RETENTIONTIME: 6.67979 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4639 PRECURSORMZ: 495.1986 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4640 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4641 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4642 NUM PEAKS: 48 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4643 86.09703 592073.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4644 97.07668 1102254.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4645 102.04713 162761.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4646 109.07671 152336.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4647 111.09241 210434.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4648 112.08799 1438576.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4649 112.1001 1334338.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4650 113.10799 1043525.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4651 126.10352 2018271.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4652 127.11132 687935.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4653 128.1188 2868988.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4654 151.03604 3123530.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4655 153.11414 318101.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4656 159.04243 1900688.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4657 163.12367 266550.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4658 169.04726 264978.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4659 171.04259 9972201.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4660 178.04718 949330.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4661 183.04219 978938.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4662 196.0376 218268.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4663 198.05374 693364.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4664 209.05803 231723.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4665 213.06461 1076938.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4666 214.04874 274804.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4667 218.05339 138241.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4668 223.04858 173264.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4669 225.06474 1428863.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4670 238.05968 4320120.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4671 239.08025 155000.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4672 247.08057 319312.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4673 253.14586 318558.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4674 255.08643 272181.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4675 267.08603 1563035.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4676 270.13541 250539.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4677 281.12677 392614.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4678 295.14307 440522.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4679 298.08517 500719.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4680 298.15424 170519.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4681 299.09323 317366.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4682 307.14276 192450.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4683 323.14941 13337730.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4684 328.07541 186287.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4685 334.15344 701456.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4686 348.08228 404641.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4687 353.0658 262110.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4688 366.07346 193709.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4689 368.08932 5815862.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4690 495.20059 2433116.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4691 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4692 FORMULA: C11H16N2O2 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4693 INCHIKEY: IMIDOCRTMDIQIJ-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4694 SMILES: CN=C(Oc1ccc(c(c1)C)N(C)C)O |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4695 NAME: Aminocarb_1 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4696 RETENTIONTIME: 0.8035756 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4697 PRECURSORMZ: 209.129 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4698 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4699 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4700 NUM PEAKS: 5 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4701 120.05733 176701.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4702 122.06016 1917070.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4703 136.07611 928093.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4704 137.08363 8823033.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4705 152.10725 186336.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4706 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4707 FORMULA: C11H16N2O2 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4708 INCHIKEY: IMIDOCRTMDIQIJ-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4709 SMILES: CN=C(Oc1ccc(c(c1)C)N(C)C)O |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4710 NAME: Aminocarb_2 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4711 RETENTIONTIME: 1.13997 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4712 PRECURSORMZ: 209.129 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4713 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4714 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4715 NUM PEAKS: 5 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4716 120.05733 247123.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4717 122.06016 2666029.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4718 136.07611 1253139.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4719 137.08363 12201258.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4720 152.10725 242082.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4721 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4722 FORMULA: C9H20N2O2 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4723 INCHIKEY: WZZLDXDUQPOXNW-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4724 SMILES: CCCOC(=NCCCN(C)C)O |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4725 NAME: Propamocarb_1 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4726 RETENTIONTIME: 0.7535679 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4727 PRECURSORMZ: 189.1603 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4728 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4729 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4730 NUM PEAKS: 2 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4731 86.0966 201548.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4732 102.05516 5038638.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4733 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4734 FORMULA: C9H20N2O2 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4735 INCHIKEY: WZZLDXDUQPOXNW-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4736 SMILES: CCCOC(=NCCCN(C)C)O |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4737 NAME: Propamocarb_2 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4738 RETENTIONTIME: 1.081971 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4739 PRECURSORMZ: 189.1603 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4740 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4741 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4742 NUM PEAKS: 2 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4743 86.0966 107829.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4744 102.05516 2507023.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4745 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4746 FORMULA: C11H15N3O2 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4747 INCHIKEY: MYPKGPZHHQEODQ-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4748 SMILES: CN=C(Oc1cccc(c1)N=CN(C)C)O |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4749 NAME: Formetanate_1 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4750 RETENTIONTIME: 0.7730471 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4751 PRECURSORMZ: 222.1239 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4752 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4753 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4754 NUM PEAKS: 13 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4755 93.03365 1796.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4756 107.04935 1981.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4757 111.04435 82262.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4758 118.04142 1927.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4759 120.04462 150907.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4760 121.03984 67610.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4761 122.06016 5909.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4762 122.75254 1678.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4763 150.98424 1930.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4764 165.1024 143887.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4765 173.50876 2616.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4766 200.05632 2056.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4767 208.52768 2170.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4768 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4769 FORMULA: C11H15N3O2 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4770 INCHIKEY: MYPKGPZHHQEODQ-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4771 SMILES: CN=C(Oc1cccc(c1)N=CN(C)C)O |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4772 NAME: Formetanate_2 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4773 RETENTIONTIME: 1.13043 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4774 PRECURSORMZ: 222.1239 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4775 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4776 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4777 NUM PEAKS: 15 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4778 91.05441 6330.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4779 93.03365 27201.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4780 107.04935 4024.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4781 111.04435 131558.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4782 115.05429 3711.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4783 117.06996 5571.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4784 118.04177 4476.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4785 120.04462 274740.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4786 121.03984 113412.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4787 122.06016 7843.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4788 124.07605 4049.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4789 135.04427 4178.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4790 145.06488 3067.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4791 164.95049 3848.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4792 165.1024 263802.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4793 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4794 FORMULA: C12H18N2O2 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4795 INCHIKEY: YNEVBPNZHBAYOA-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4796 SMILES: CN=C(Oc1cc(C)c(c(c1)C)N(C)C)O |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4797 NAME: Mexacarbate |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4798 RETENTIONTIME: 1.682191 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4799 PRECURSORMZ: 223.1443 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4800 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4801 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4802 NUM PEAKS: 5 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4803 134.07283 2632951.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4804 136.07611 26036728.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4805 150.092 1572118.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4806 151.09932 54847764.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4807 166.12282 1541928.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4808 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4809 FORMULA: C19H21N2OCl |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4810 INCHIKEY: OGYFATSSENRIKG-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4811 SMILES: Clc1ccc(cc1)CN(C(=Nc1ccccc1)O)C1CCCC1 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4812 NAME: Monceren |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4813 RETENTIONTIME: 7.14553 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4814 PRECURSORMZ: 329.1426 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4815 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4816 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4817 NUM PEAKS: 5 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4818 89.03881 550831.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4819 94.06543 635265.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4820 106.06545 446416.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4821 125.01307 512150.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4822 125.01532 37442116.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4823 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4824 FORMULA: C16H16N2O4 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4825 INCHIKEY: WZJZMXBKUWKXTQ-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4826 SMILES: CCOC(=Nc1cccc(c1)OC(=Nc1ccccc1)O)O |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4827 NAME: Desmedipham |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4828 RETENTIONTIME: 6.430396 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4829 PRECURSORMZ: 301.1192 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4830 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4831 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4832 NUM PEAKS: 3 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4833 136.03947 1773399.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4834 154.04993 1002798.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4835 182.08162 6480130.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4836 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4837 FORMULA: C16H16N2O4 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4838 INCHIKEY: IDOWTHOLJBTAFI-UHFFFAOYSA-N |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4839 SMILES: COC(=Nc1cccc(c1)OC(=Nc1cccc(c1)C)O)O |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
recetox
parents:
diff
changeset
|
4840 NAME: Phenmedipham |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
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4841 RETENTIONTIME: 6.570995 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
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4842 PRECURSORMZ: 301.1185 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
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4843 PRECURSORTYPE: [M+H]+ |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
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4844 INSTRUMENTTYPE: LC-ESI-Orbitrap |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
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4845 NUM PEAKS: 2 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
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4846 136.03947 2596929.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
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4847 168.06587 7038054.0 |
df85b26201d1
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
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4848 |