Mercurial > repos > fgiacomoni > hr2
comparison test-data/out3.tabular @ 1:e2cbcf6fa22e draft
master branch Updating with tag :CI_COMMIT_TAG - - Fxx
| author | fgiacomoni |
|---|---|
| date | Sun, 11 Dec 2022 17:16:43 +0000 |
| parents | |
| children |
comparison
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| 0:86296c048e46 | 1:e2cbcf6fa22e |
|---|---|
| 1 ID MASS_SUBMIT CPD_FORMULA CPD_MW DELTA | |
| 2 mass_01 427.019898895 C18H10N3O8P1 427.0205509 -0.65 | |
| 3 mass_01 427.019898895 C13H7N11O3P2 427.0208564 -0.96 | |
| 4 mass_01 427.019898895 C12H11N7O7P2 427.0195190 0.38 | |
| 5 mass_01 427.019898895 C22H12N3O1P3 427.0193219 0.58 | |
| 6 mass_01 427.019898895 C13H5N11O5S1 427.0195830 0.32 | |
| 7 mass_01 427.019898895 C10H14N5O10P1S1 427.0198990 -0.00 | |
| 8 mass_01 427.019898895 C20H15N1O4P2S1 427.0197019 0.20 | |
| 9 mass_01 427.019898895 C21H9N5O2S2 427.0197659 0.13 | |
| 10 mass_01 427.019898895 C13H15N7O2P2S2 427.0203874 -0.49 | |
| 11 mass_01 427.019898895 C12H19N3O6P2S2 427.0190500 0.85 | |
| 12 mass_01 427.019898895 C10H24N1O7P3S2 427.0207034 -0.80 | |
| 13 mass_01 427.019898895 C14H9N11S3 427.0204514 -0.55 | |
| 14 mass_01 427.019898895 C13H13N7O4S3 427.0191140 0.78 | |
| 15 mass_01 427.019898895 C11H18N5O5P1S3 427.0207674 -0.87 | |
| 16 mass_01 427.019898895 C10H22N1O9P1S3 427.0194300 0.47 | |
| 17 mass_01 427.019898895 C21H17N1O1S4 427.0192969 0.60 | |
| 18 mass_01 427.019898895 C13H23N3O1P2S4 427.0199184 -0.02 | |
| 19 mass_01 427.019898895 C11H26N1O4P1S5 427.0202984 -0.40 |