Identifying xenobiotic metabolites with in silico prediction tools and LCMS suspect screening analysis

Identifying xenobiotic metabolites with in silico prediction tools and LCMS suspect screening analysis

Understanding the metabolic fate of a xenobiotic substance can help inform its potential health risks and allow for the identification of signature metabolites associated with exposure. The need to characterize metabolites of poorly studied or novel substances has shifted exposure studies towards no...

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Bibliographic Details
Main Authors: Matthew Boyce, Kristin A. Favela, Jessica A. Bonzo, Alex Chao, Lucina E. Lizarraga, Laura R. Moody, Elizabeth O. Owens, Grace Patlewicz, Imran Shah, Jon R. Sobus, Russell S. Thomas, Antony J. Williams, Alice Yau, John F. Wambaugh
Format: Article
Language:English
Published: Frontiers Media S.A. 2023-01-01
Series:Frontiers in Toxicology
Subjects:
metabolism
suspect-screening analysis
xenobiotics
in vitro
mass-spectrometry
Online Access:https://www.frontiersin.org/articles/10.3389/ftox.2023.1051483/full

Internet

https://www.frontiersin.org/articles/10.3389/ftox.2023.1051483/full

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