Mercurial > repos > recetox > matchms_metadata_export
comparison test-data/subsetting/subsetting_output2.msp @ 12:c01868645f1b draft
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit da193865f41a3a840ecc4ba0afab1d358554998a
| author | recetox |
|---|---|
| date | Mon, 05 Feb 2024 10:40:38 +0000 |
| parents | fe8225dd25d3 |
| children |
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| 11:cbadbec49b5d | 12:c01868645f1b |
|---|---|
| 1 NAME: C003 | |
| 1 IONMODE: Negative | 2 IONMODE: Negative |
| 3 RETENTIONTIME: 483.67 | |
| 2 SPECTRUMTYPE: Centroid | 4 SPECTRUMTYPE: Centroid |
| 3 COMPOUND_NAME: C003 | |
| 4 RETENTION_TIME: 483.67 | |
| 5 TOOL_USED: matchms | |
| 6 NUM PEAKS: 26 | 5 NUM PEAKS: 26 |
| 7 265.2529 11366224.0 | 6 265.2529 11366224.0 |
| 8 266.2564 1420444.0 | 7 266.2564 1420444.0 |
| 9 279.6362 29849749.0 | 8 279.6362 29849749.0 |
| 10 280.6546 8848921.0 | 9 280.6546 8848921.0 |
| 29 1058.1594 20718345.0 | 28 1058.1594 20718345.0 |
| 30 1059.1626 6608764.0 | 29 1059.1626 6608764.0 |
| 31 1071.1639 15461047.0 | 30 1071.1639 15461047.0 |
| 32 1072.1671 5096642.0 | 31 1072.1671 5096642.0 |
| 33 | 32 |
| 33 NAME: C005 | |
| 34 IONMODE: Negative | 34 IONMODE: Negative |
| 35 RETENTIONTIME: 41.72 | |
| 35 SPECTRUMTYPE: Centroid | 36 SPECTRUMTYPE: Centroid |
| 36 COMPOUND_NAME: C005 | |
| 37 RETENTION_TIME: 41.72 | |
| 38 TOOL_USED: matchms | |
| 39 NUM PEAKS: 20 | 37 NUM PEAKS: 20 |
| 40 218.1386 14009249.0 | 38 218.1386 14009249.0 |
| 41 337.0623 88672453.0 | 39 337.0623 88672453.0 |
| 42 338.0654 8770055.0 | 40 338.0654 8770055.0 |
| 43 353.0361 37061354.0 | 41 353.0361 37061354.0 |