Metabolomics

Dataset Information

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GNPS - Glutathione adduct_in vitro_human liver microsomes


ABSTRACT: GSH adduct formed via in vitro bioactivation in human liver microsomes

INSTRUMENT(S): Q Exactive

ORGANISM(S): Homo Sapiens (ncbitaxon:9606)

SUBMITTER: Ju-Hyun Kim  

PROVIDER: MSV000093215 | GNPS | Wed Nov 01 00:56:00 GMT 2023

REPOSITORIES: GNPS

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Publications

Feature-Based Molecular Networking Combined with Multivariate Analysis for the Characterization of Glutathione Adducts as a Smoking Gun of Bioactivation.

Jung Young-Heun YH   Kim Ju-Hyun JH  

Analytical chemistry 20231117 48


Feature-based molecular networking (FBMN) is a powerful analytical tool for mass spectrometry (MS)-based untargeted metabolomics data analysis. FBMN plays an important role in drug metabolism studies, enabling the visualization of complex metabolomics data to achieve metabolite characterization. In this study, we propose a strategy for the characterization of glutathione (GSH) adducts formed <i>via</i> <i>in vitro</i> metabolic activation using FBMN assisted by multivariate analysis (MVA). Aceta  ...[more]

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