Mercurial > repos > recetox > matchms_metadata_match
comparison test-data/filtering/relative_intensity.msp @ 0:03bc9b7f40f6 draft
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
| author | recetox |
|---|---|
| date | Tue, 27 Jun 2023 14:28:41 +0000 |
| parents | |
| children |
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| -1:000000000000 | 0:03bc9b7f40f6 |
|---|---|
| 1 IONMODE: negative | |
| 2 SPECTRUMTYPE: Centroid | |
| 3 COMPOUND_NAME: C001 | |
| 4 RETENTION_TIME: 38.74 | |
| 5 RETENTION_INDEX: None | |
| 6 NUM PEAKS: 16 | |
| 7 138.9121 10186226.0 | |
| 8 175.0641 26780143.0 | |
| 9 196.8658 21390430.0 | |
| 10 198.8647 21688594.0 | |
| 11 206.9034 26130980.0 | |
| 12 254.8252 23747536.0 | |
| 13 258.8237 15532799.0 | |
| 14 266.8652 9805546.0 | |
| 15 312.7841 10051801.0 | |
| 16 316.7777 10734168.0 | |
| 17 372.7383 19374863.0 | |
| 18 382.8218 12815572.0 | |
| 19 392.7685 10913351.0 | |
| 20 434.7287 9943329.0 | |
| 21 440.7322 10603010.0 | |
| 22 488.6825 12267966.0 | |
| 23 | |
| 24 IONMODE: negative | |
| 25 SPECTRUMTYPE: Centroid | |
| 26 COMPOUND_NAME: C002 | |
| 27 RETENTION_TIME: 520.25 | |
| 28 RETENTION_INDEX: 1234.5 | |
| 29 NUM PEAKS: 0 | |
| 30 | |
| 31 IONMODE: negative | |
| 32 SPECTRUMTYPE: Centroid | |
| 33 COMPOUND_NAME: C003 | |
| 34 RETENTION_TIME: 483.67 | |
| 35 NUM PEAKS: 0 | |
| 36 | |
| 37 IONMODE: negative | |
| 38 SPECTRUMTYPE: Centroid | |
| 39 COMPOUND_NAME: C004 | |
| 40 RETENTION_TIME: 473.48 | |
| 41 NUM PEAKS: 0 | |
| 42 | |
| 43 IONMODE: negative | |
| 44 SPECTRUMTYPE: Centroid | |
| 45 COMPOUND_NAME: C005 | |
| 46 RETENTION_TIME: 41.72 | |
| 47 NUM PEAKS: 3 | |
| 48 353.0361 37061354.0 | |
| 49 359.0443 48435582.0 | |
| 50 375.018 29159485.0 | |
| 51 |