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annotate test-data/out_test02.tabular @ 27:144e4a8ad000 draft

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master branch Updating with tag :CI_COMMIT_TAG - - Fxx
author fgiacomoni
date Mon, 06 Nov 2023 17:32:31 +0000
parents 8f7546d0b925
children
Ignore whitespace changes - Everywhere: Within whitespace: At end of lines:
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6d0a0f8f672a planemo upload commit f67323ae4fa7fdbd9f4518ede105a7d7cd44b471
fgiacomoni
parents:
diff changeset
1 id mz rt hmdb(delta::name::mz::formula::adduct::id)
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8f7546d0b925 master branch Updating with tag :CI_COMMIT_TAG - - Fxx
fgiacomoni
parents: 24
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2 1 7.02080998 49.38210915 68::[Beryllium]::9.012182135::Be::[M+NH4-H2O]::HMDB0002387
8f7546d0b925 master branch Updating with tag :CI_COMMIT_TAG - - Fxx
fgiacomoni
parents: 24
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3 2 75.05547146 0.658528069 "2::[O-Methylisourea]::74.048012821::C2H6N2O::[M+H]::HMDB0255861 | 2::[N-Propyl-N-nitrosourea]::131.069476542::C4H9N3O2::[M+H+NH4]::HMDB0255236 | 2::[N-METHYL-N-FORMYLHYDRAZINE]::74.048012821::C2H6N2O::[M+H]::HMDB0255179 | 2::[Asparaginamide]::131.069476542::C4H9N3O2::[M+H+NH4]::HMDB0248665 | 10::[o-Acetylhydroxylamine]::75.032028405::C2H5NO2::[M+NH4-H2O]::HMDB0248304"
8f7546d0b925 master branch Updating with tag :CI_COMMIT_TAG - - Fxx
fgiacomoni
parents: 24
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4 3 75.08059797 1743.94267 "2::[""Propan-2,2-diyl""]::42.046950193::C3H6::[M+CH3OH+H]::HMDB0251402 | 5::[Methylene]::14.015650064::CH2::[M+IsoProp+H]::HMDB0249629 | 1::[Ethanol]::46.041864814::C2H6O::[2M+H-H2O]::HMDB0000108 | 2::[Cyclopropane]::42.046950193::C3H6::[M+CH3OH+H]::HMDB0250673 | 0::[Pyrophosphate]::177.943225506::H4O7P2::[M+H+2Na]::HMDB0000250"
8f7546d0b925 master branch Updating with tag :CI_COMMIT_TAG - - Fxx
fgiacomoni
parents: 24
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5 4 76.03942694 51.23158899 "6::[Tri-hydroxymethylaminomethane]::93.042593089::C2H7NO3::[M+H-H2O]::HMDB0259134 | 5::[Glutamic acid diethyl ester]::203.115758031::C9H17NO4::[M+2H+Na]::HMDB0252807 | 2::[Methylcarbonyloxy]::58.005479304::C2H2O2::[M+NH4]::HMDB0249651 | 2::[o-Acetylhydroxylamine]::75.032028405::C2H5NO2::[M+H]::HMDB0248304 | 6::[""2-Aminoethane-1,1,1-triol""]::93.042593089::C2H7NO3::[M+H-H2O]::HMDB0247334"
8f7546d0b925 master branch Updating with tag :CI_COMMIT_TAG - - Fxx
fgiacomoni
parents: 24
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6 5 76.07584477 50.51249853 "2::[2-(2-Hydroxypropan-2-ylamino)propan-2-ol]::133.110278727::C6H15NO2::[M+H+NH4]::HMDB0257796 | 9::[Propanediol]::76.052429498::C3H8O2::[M+NH4-H2O]::HMDB0256813 | 2::[Aminopropanol]::75.068413914::C3H9NO::[M+H]::HMDB0248330 | 2::[2-Methoxyethylamine]::75.068413914::C3H9NO::[M+H]::HMDB0245205 | 2::[(E)-1-Propenol]::58.041864813::C3H6O::[M+NH4]::HMDB0243637"
8f7546d0b925 master branch Updating with tag :CI_COMMIT_TAG - - Fxx
fgiacomoni
parents: 24
diff changeset
7 6 76.07593168 0.149308136 "3::[2-(2-Hydroxypropan-2-ylamino)propan-2-ol]::133.110278727::C6H15NO2::[M+H+NH4]::HMDB0257796 | 11::[Propanediol]::76.052429498::C3H8O2::[M+NH4-H2O]::HMDB0256813 | 3::[Aminopropanol]::75.068413914::C3H9NO::[M+H]::HMDB0248330 | 3::[2-Methoxyethylamine]::75.068413914::C3H9NO::[M+H]::HMDB0245205 | 3::[(E)-1-Propenol]::58.041864813::C3H6O::[M+NH4]::HMDB0243637"