Mercurial > repos > recetox > matchms_metadata_match
comparison test-data/subsetting/subsetting_output2.msp @ 10:91b4b0c9a384 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 10:38:50 +0000 |
parents | ec100506fbe3 |
children |
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9:05a7fc94e66c | 10:91b4b0c9a384 |
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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 |