Mercurial > repos > computational-metabolomics > sirius_csifingerid
annotate test-data/generic.msp @ 9:8dac4cef0a22 draft default tip
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit c2fc3de462ef4bd1a225c41624b094c3b5874736"
author | computational-metabolomics |
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date | Wed, 16 Feb 2022 16:11:55 +0000 |
parents | 9e6bf7278257 |
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rev | line source |
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0
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
1 NAME: MZ:70.0659 | RT:1483 | XCMS_group:1 | file:1 | scan:NA | pid:NA |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
2 PRECURSORMZ: 70.0658950805664 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
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3 Comment: |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
4 Num Peaks: 8 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
5 50.4781379699707 3487.4296875 4.61 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
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6 51.0193099975586 3390.96948242188 4.49 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
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7 53.0031509399414 10011.958984375 13.25 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
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8 53.5898513793945 4252.7880859375 5.63 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
9 54.3787727355957 3541.5107421875 4.69 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
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10 69.0455169677734 9650.0107421875 12.77 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
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11 70.0660934448242 37168.609375 49.18 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
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12 82.9910659790039 4077.36694335938 5.39 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
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13 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
14 NAME: MZ:72.0815 | RT:1823 | XCMS_group:2 | file:1 | scan:NA |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
15 PRECURSORMZ: 72.0815277099609 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
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16 COMMENT: |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
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17 Num Peaks: 6 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
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18 51.773567199707 818.313903808594 10.98 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
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19 54.0346794128418 1247.91137695312 16.75 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
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20 54.6847991943359 967.616882324219 12.98 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
21 56.050350189209 1780.01037597656 23.90 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
22 58.4994125366211 975.196228027344 13.09 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
23 72.0814056396484 1660.50390625 22.29 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
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24 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
25 NAME: MZ:72.0815 | RT:1857 | scan:NA |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
26 PRECURSORMZ: 72.08154296875 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
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27 COMMENT: |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
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28 Num Peaks: 4 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
29 56.0504341125488 1838.78173828125 46.54 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
30 59.9103507995605 701.556762695312 17.75 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
31 63.7723731994629 650.224975585938 16.46 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
32 72.0814590454102 760.228637695312 19.25 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
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33 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
34 NAME: MZ:76.0400 | RT:1606 | XCMS_group:5 | file:1 | scan:NA |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
35 PRECURSORMZ: 76.0400390625 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
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36 COMMENT: |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
37 Num Peaks: 4 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
38 53.2376174926758 3224.35571289062 25.41 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
39 60.3291244506836 3193.19482421875 25.17 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
40 73.7529830932617 3305.61401367188 26.05 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
41 82.5309600830078 2965.41772460938 23.37 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
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42 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
43 NAME: MZ:79.0219 | RT:177 | XCMS_group:9 | file:1 | scan:NA |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
44 PRECURSORMZ: 79.0218658447266 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
45 COMMENT: |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
46 Num Peaks: 7 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
47 53.6282501220703 15316.7431640625 1.07 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
48 59.967342376709 251727.734375 17.51 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
49 61.0115814208984 80113.8046875 5.57 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
50 62.9908714294434 93065.1015625 6.47 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
51 63.9986305236816 950876.9375 66.13 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
52 79.0219345092773 33032.984375 2.30 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
53 95.4936447143555 13826.033203125 0.96 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
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54 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
55 NAME: MZ:79.0219 | RT:184 | XCMS_group:9 | file:1 | scan:NA |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
56 PRECURSORMZ: 79.0218811035156 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
57 COMMENT: |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
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58 Num Peaks: 5 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
59 59.1125831604004 67799.1953125 3.10 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
60 59.9673652648926 345613.1875 15.83 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
61 62.9906845092773 117693.296875 5.39 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
62 63.9986686706543 1585970.25 72.62 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
63 80.5974655151367 66719.4609375 3.06 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
64 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
65 NAME: MZ:79.0219 | RT:212 | XCMS_group:9 | file:1 | scan:NA |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
66 PRECURSORMZ: 79.0218887329102 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
67 COMMENT: |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
68 Num Peaks: 12 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
69 53.1700401306152 2441.47143554688 2.54 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
70 55.1893730163574 2006.07958984375 2.08 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
71 58.9013671875 2539.39086914062 2.64 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
72 59.9673500061035 13423.1376953125 13.94 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
73 61.0115776062012 4831.0986328125 5.02 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
74 62.9908828735352 3668.52905273438 3.81 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
75 63.9986190795898 54386.6640625 56.50 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
76 73.8388671875 2330.30126953125 2.42 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
77 78.5768051147461 2563.25 2.66 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
78 79.0221328735352 2581.44604492188 2.68 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
79 96.8009872436523 2530.70141601562 2.63 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
80 99.6652908325195 2961.3095703125 3.08 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
81 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
82 NAME: MZ:79.9904 | RT:1284 | XCMS_group:11 | file:1 | scan:NA |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
83 PRECURSORMZ: 79.9903564453125 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
84 COMMENT: |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
85 Num Peaks: 3 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
86 51.6917915344238 584.212829589844 31.93 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
87 53.0398750305176 649.807922363281 35.48 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
88 97.3154754638672 596.341003417969 32.59 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
89 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
90 NAME: MZ:86.0607 | RT:1497 | XCMS_group:19 | file:1 | scan:NA |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
91 PRECURSORMZ: 86.060661315918 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
92 COMMENT: |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
93 Num Peaks: 4 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
94 53.0031318664551 9658.7939453125 60.81 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
95 53.1939277648926 1998.81518554688 12.58 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
96 80.3447494506836 2044.23645019531 12.87 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
97 101.307479858398 2181.85522460938 13.73 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
98 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
99 NAME: MZ:86.0606 | RT:1498 | XCMS_group:19 | file:1 | scan:NA |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
100 PRECURSORMZ: 86.0606307983398 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
101 COMMENT: |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
102 Num Peaks: 11 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
103 52.6782836914062 1061.12646484375 3.59 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
104 53.0032196044922 15176.8583984375 51.38 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
105 53.1121788024902 1193.6044921875 4.039 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
106 53.9984169006348 2790.28930664062 9.45 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
107 54.0287094116211 999.250427246094 3.38 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
108 56.7024726867676 1171.42797851562 3.96 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
109 69.0346069335938 1878.03894042969 3.36 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
110 72.9083633422852 1256.455078125 4.25 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
111 74.0740356445312 1324.07055664062 4.48 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
112 80.5324630737305 1329.61022949219 4.50 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
113 91.0167770385742 1362.0029296875 4.61 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
114 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
115 NAME: MZ:86.0607 | RT:1500 | XCMS_group:19 | file:1 | scan:NA |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
116 PRECURSORMZ: 86.0606536865234 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
117 COMMENT: |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
118 Num Peaks: 5 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
119 53.0031509399414 29580.330078125 61.35 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
120 55.3490409851074 4989.64990234375 10.35 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
121 61.990592956543 4089.9619140625 8.48 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
122 63.2290992736816 4168.97412109375 8.64 |
9e6bf7278257
"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
computational-metabolomics
parents:
diff
changeset
|
123 67.6647109985352 5392.48779296875 11.18 |