Version 1.0.1
FragHub: OMSL output results -093025
Dablanc, Axel;Hennechart, Solweig;Cabanac, Guillaume;Paulhe, Nils;Bernard, Lyan;Jamin, Emilien;Giacomoni, Franck;Guitton, Yann;Marti, Guillaume
Description
FragHub 1.4.1 integration resultsinput OMSL:MSnlibGNPS2 ISDBsystemomicslabMoNAMassBankMetaboanalystDatabase integration workflow:Deduplicate spectra (splash keys)apply default filters (all but entropy)normalize metadata add chemical ontologyOutput results available in .csv .json and .msp:Spectra NEG experimental: 1140117unique INCHIKEY: 113410Spectra POS experimental: 3731277unique INCHIKEY: 210777unique INCHIKEY2D experimental: 248245Spectra NEG in silico: 2737159unique INCHIKEY: 1536985Spectra POS in silico: 2644561unique INCHIKEY: 1529720unique INCHIKEY2D in silico: 1611201
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Metrics Over Time
Publication Details
Subfield
Molecular Biology
Field
Biochemistry, Genetics and Molecular Biology
Domain
Life Sciences
Confidence Score
37%
Source
Scholar Data Model
Keywords
Open mass spectral librarymetabolomicsdereplicationMass spectrometrydatabase