Mercurial > repos > recetox > matchms_metadata_match

comparison test-data/split/one-per-file/2.msp @ 19:c86d265f6f5e draft

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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit bd80a813fb2f01f22eed0c874f8911ce4d00762a
author recetox
date Mon, 30 Jun 2025 12:59:27 +0000
parents 91b4b0c9a384
children
comparison
equal deleted inserted replaced
18:330b0dfae8da 19:c86d265f6f5e
20 IONIZATION_MODE: positive 20 IONIZATION_MODE: positive
21 LAST_AUTO-CURATION: 1495210335820 21 LAST_AUTO-CURATION: 1495210335820
22 MOLECULAR_FORMULA: C6H4Cl2O 22 MOLECULAR_FORMULA: C6H4Cl2O
23 TOTAL_EXACT_MASS: 161.963920108 23 TOTAL_EXACT_MASS: 161.963920108
24 NUM PEAKS: 36 24 NUM PEAKS: 36
25 51.0 2.25 25 51.0 2.25
26 53.0 6.4 26 53.0 6.4
27 60.0 4.13 27 60.0 4.13
28 61.0 9.78 28 61.0 9.78
29 62.0 20.36 29 62.0 20.36
30 63.0 32.41 30 63.0 32.41
31 64.0 5.58 31 64.0 5.58
32 71.0 2.16 32 71.0 2.16
33 72.0 8.31 33 72.0 8.31
34 73.0 13.57 34 73.0 13.57
35 74.0 6.23 35 74.0 6.23
36 75.0 5.23 36 75.0 5.23
37 81.0 8.28 37 81.0 8.28
38 82.0 5.27 38 82.0 5.27
39 83.0 2.81 39 83.0 2.81
40 91.0 2.06 40 91.0 2.06
41 97.0 6.25 41 97.0 6.25
42 98.0 25.55 42 98.0 25.55
43 99.0 33.74 43 99.0 33.74
44 100.0 9.84 44 100.0 9.84
45 101.0 12.32 45 101.0 12.32
46 107.0 2.31 46 107.0 2.31
47 109.0 2.08 47 109.0 2.08
48 126.0 7.67 48 126.0 7.67
49 127.0 3.67 49 127.0 3.67
50 128.0 2.81 50 128.0 2.81
51 133.0 5.09 51 133.0 5.09
52 134.0 7.44 52 134.0 7.44
53 135.0 3.61 53 135.0 3.61
54 136.0 4.75 54 136.0 4.75
55 161.0 3.6 55 161.0 3.6
56 162.0 99.99 56 162.0 99.99
57 163.0 8.7 57 163.0 8.7
58 164.0 62.28 58 164.0 62.28
59 165.0 4.54 59 165.0 4.54
60 166.0 9.78 60 166.0 9.78
61 61