Mercurial > repos > recetox > matchms_metadata_match
comparison test-data/filtering/mz_range.msp @ 0:03bc9b7f40f6 draft
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f79a5b51599254817727bc9028b9797ea994cb4e
author | recetox |
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date | Tue, 27 Jun 2023 14:28:41 +0000 |
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-1:000000000000 | 0:03bc9b7f40f6 |
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1 IONMODE: negative | |
2 SPECTRUMTYPE: Centroid | |
3 COMPOUND_NAME: C001 | |
4 RETENTION_TIME: 38.74 | |
5 RETENTION_INDEX: None | |
6 NUM PEAKS: 41 | |
7 306.9914 3169316.0 | |
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48 | |
49 IONMODE: negative | |
50 SPECTRUMTYPE: Centroid | |
51 COMPOUND_NAME: C002 | |
52 RETENTION_TIME: 520.25 | |
53 RETENTION_INDEX: 1234.5 | |
54 NUM PEAKS: 16 | |
55 301.1565 15185412.0 | |
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71 | |
72 IONMODE: negative | |
73 SPECTRUMTYPE: Centroid | |
74 COMPOUND_NAME: C003 | |
75 RETENTION_TIME: 483.67 | |
76 NUM PEAKS: 11 | |
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88 | |
89 IONMODE: negative | |
90 SPECTRUMTYPE: Centroid | |
91 COMPOUND_NAME: C004 | |
92 RETENTION_TIME: 473.48 | |
93 NUM PEAKS: 10 | |
94 482.3247 145772322.0 | |
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104 | |
105 IONMODE: negative | |
106 SPECTRUMTYPE: Centroid | |
107 COMPOUND_NAME: C005 | |
108 RETENTION_TIME: 41.72 | |
109 NUM PEAKS: 19 | |
110 337.0623 88672453.0 | |
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128 572.871 3485486.0 | |
129 |