Mercurial > repos > recetox > matchms_metadata_export

comparison test-data/split/one-per-file/0.msp @ 21:51205379251d 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 12:58:21 +0000
parents c01868645f1b
children
comparison
equal deleted inserted replaced
20:8832425b1ff6 21:51205379251d
20 IONIZATION_MODE: positive 20 IONIZATION_MODE: positive
21 LAST_AUTO-CURATION: 1495210335755 21 LAST_AUTO-CURATION: 1495210335755
22 MOLECULAR_FORMULA: C16H9NO2 22 MOLECULAR_FORMULA: C16H9NO2
23 TOTAL_EXACT_MASS: 247.063328528 23 TOTAL_EXACT_MASS: 247.063328528
24 NUM PEAKS: 75 24 NUM PEAKS: 75
25 51.0 2.66 25 51.0 2.66
26 55.0 8.0 26 55.0 8.0
27 57.0 7.33 27 57.0 7.33
28 58.0 1.33 28 58.0 1.33
29 59.0 1.33 29 59.0 1.33
30 60.0 14.0 30 60.0 14.0
31 61.0 1.33 31 61.0 1.33
32 62.0 3.33 32 62.0 3.33
33 63.0 3.33 33 63.0 3.33
34 66.0 1.33 34 66.0 1.33
35 68.0 8.66 35 68.0 8.66
36 70.0 2.0 36 70.0 2.0
37 72.0 5.33 37 72.0 5.33
38 73.0 7.33 38 73.0 7.33
39 74.0 3.33 39 74.0 3.33
40 75.0 2.66 40 75.0 2.66
41 76.0 2.0 41 76.0 2.0
42 78.0 1.33 42 78.0 1.33
43 80.0 4.0 43 80.0 4.0
44 81.0 2.0 44 81.0 2.0
45 82.0 1.33 45 82.0 1.33
46 83.0 3.33 46 83.0 3.33
47 86.0 12.66 47 86.0 12.66
48 87.0 8.66 48 87.0 8.66
49 92.0 2.0 49 92.0 2.0
50 93.0 10.0 50 93.0 10.0
51 94.0 6.0 51 94.0 6.0
52 98.0 14.66 52 98.0 14.66
53 99.0 83.33 53 99.0 83.33
54 100.0 60.66 54 100.0 60.66
55 104.0 4.0 55 104.0 4.0
56 107.0 1.33 56 107.0 1.33
57 108.0 1.33 57 108.0 1.33
58 110.0 3.33 58 110.0 3.33
59 112.0 1.33 59 112.0 1.33
60 113.0 1.33 60 113.0 1.33
61 115.0 1.33 61 115.0 1.33
62 116.0 1.33 62 116.0 1.33
63 120.0 1.33 63 120.0 1.33
64 122.0 4.0 64 122.0 4.0
65 123.0 2.66 65 123.0 2.66
66 124.0 2.66 66 124.0 2.66
67 125.0 2.0 67 125.0 2.0
68 126.0 1.33 68 126.0 1.33
69 134.0 1.33 69 134.0 1.33
70 135.0 2.0 70 135.0 2.0
71 137.0 1.33 71 137.0 1.33
72 147.0 1.33 72 147.0 1.33
73 149.0 2.0 73 149.0 2.0
74 150.0 4.66 74 150.0 4.66
75 151.0 3.33 75 151.0 3.33
76 159.0 2.0 76 159.0 2.0
77 162.0 2.0 77 162.0 2.0
78 163.0 2.66 78 163.0 2.66
79 173.0 2.0 79 173.0 2.0
80 174.0 8.66 80 174.0 8.66
81 175.0 4.66 81 175.0 4.66
82 177.0 2.0 82 177.0 2.0
83 187.0 5.33 83 187.0 5.33
84 188.0 4.66 84 188.0 4.66
85 189.0 56.66 85 189.0 56.66
86 190.0 12.0 86 190.0 12.0
87 191.0 16.66 87 191.0 16.66
88 198.0 10.66 88 198.0 10.66
89 199.0 9.33 89 199.0 9.33
90 200.0 72.66 90 200.0 72.66
91 201.0 99.99 91 201.0 99.99
92 202.0 16.0 92 202.0 16.0
93 203.0 1.33 93 203.0 1.33
94 207.0 1.33 94 207.0 1.33
95 214.0 1.33 95 214.0 1.33
96 217.0 25.33 96 217.0 25.33
97 218.0 5.33 97 218.0 5.33
98 247.0 52.66 98 247.0 52.66
99 248.0 10.16 99 248.0 10.16
100 100