Mercurial > repos > fgiacomoni > hr2

annotate test-data/out3.tabular @ 1:e2cbcf6fa22e draft

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