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annotate test-data/out_test03.tabular @ 22:453fbe98925a draft

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" master branch Updating with tag :CI_COMMIT_TAG - - Fxx"
author fgiacomoni
date Fri, 20 Nov 2020 17:29:18 +0000
parents 63ba1cb240b7
children d8e2ede293a6
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14
625fa968d99a Master branch Updating - - Fxx
fgiacomoni
parents: 10
diff changeset
1 ID Query(Da) Delta(ppm) Metabolite_Name Cpd_MW(Da) Formula Adduct Adduct_MW(Da) HMDB_ID
22
453fbe98925a " master branch Updating with tag :CI_COMMIT_TAG - - Fxx"
fgiacomoni
parents: 21
diff changeset
2 mz_00001 175.01 23 [Phenol sulphate] 173.99867937 C6H6O4S [M+H] 175.005955 HMDB0060015
453fbe98925a " master branch Updating with tag :CI_COMMIT_TAG - - Fxx"
fgiacomoni
parents: 21
diff changeset
3 mz_00001 175.01 78 [trans-Aconitic acid] 174.016437924 C6H6O6 [M+H] 175.023714 HMDB0000958
453fbe98925a " master branch Updating with tag :CI_COMMIT_TAG - - Fxx"
fgiacomoni
parents: 21
diff changeset
4 mz_00001 175.01 78 [cis-Aconitic acid] 174.016437924 C6H6O6 [M+H] 175.023714 HMDB0000072
453fbe98925a " master branch Updating with tag :CI_COMMIT_TAG - - Fxx"
fgiacomoni
parents: 21
diff changeset
5 mz_00001 175.01 78 [Dehydroascorbic acid] 174.016437924 C6H6O6 [M+H] 175.023714 HMDB0001264
453fbe98925a " master branch Updating with tag :CI_COMMIT_TAG - - Fxx"
fgiacomoni
parents: 21
diff changeset
6 mz_00001 175.01 78 [dehydroascorbide(1-)] 174.016437913 C6H6O6 [M+H] 175.023714 HMDB0062706
453fbe98925a " master branch Updating with tag :CI_COMMIT_TAG - - Fxx"
fgiacomoni
parents: 21
diff changeset
7 mz_00002 238.19 0 UNKNOWN N/A N/A N/A N/A N/A
453fbe98925a " master branch Updating with tag :CI_COMMIT_TAG - - Fxx"
fgiacomoni
parents: 21
diff changeset
8 mz_00003 420.16 57 [Fenvalerate] 419.128821282 C25H22ClNO3 [M+H] 420.136097 HMDB0031791
453fbe98925a " master branch Updating with tag :CI_COMMIT_TAG - - Fxx"
fgiacomoni
parents: 21
diff changeset
9 mz_00004 780.32 55 [3'-Sialyl-3-fucosyllactose] 779.269536879 C29H49NO23 [M+H] 780.276813 HMDB0006606
453fbe98925a " master branch Updating with tag :CI_COMMIT_TAG - - Fxx"
fgiacomoni
parents: 21
diff changeset
10 mz_00005 956.25 0 UNKNOWN N/A N/A N/A N/A N/A
453fbe98925a " master branch Updating with tag :CI_COMMIT_TAG - - Fxx"
fgiacomoni
parents: 21
diff changeset
11 mz_00006 1100.45 0 UNKNOWN N/A N/A N/A N/A N/A