Mercurial > repos > recetox > matchms_formatter

comparison test-data/filtering/mz_range.msp @ 0:60f34912b3de draft

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"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
author recetox
date Tue, 22 Mar 2022 16:08:45 +0000
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-1:000000000000 0:60f34912b3de
1 IONMODE: negative
2 SPECTRUMTYPE: Centroid
3 COMPOUND_NAME: C001
4 RETENTION_TIME: 38.74
5 RETENTION_INDEX: None
6 NUM PEAKS: 41
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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
77 378.2093 15309961.0
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88
89 IONMODE: negative
90 SPECTRUMTYPE: Centroid
91 COMPOUND_NAME: C004
92 RETENTION_TIME: 473.48
93 NUM PEAKS: 10
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103 784.9749 3622908.0
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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112 353.0361 37061354.0
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128 572.871 3485486.0
129