Two decades after the Metabolomics Standards Initiative, public deposition of raw LC-MS/MS data into archives such as MetaboLights, Metabolomics Workbench, GNPS and MassBank has matured, but the analyses that turn raw files into reported feature tables remain difficult to share, audit and reuse. The FAIR principles, or...
P. Louail, M. De Graeve, Alexandru Mahmoud et al.· Metabolomics· 0 citations
Liquid chromatography-mass spectrometry (LC-MS) is widely used in metabolomics. Raw LC-MS data is relatively complex, consisting of molecular features originating not only from unique metabolites but also from redundant adducts, in-source fragments, artifacts, and impurities. It is also prone to signal intensity drift...
V. Koistinen, Retu Haikonen, Atte Lihtamo et al.· Methods in molecular biology· 1 citation
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