Fig. 1: Enzymatic generation of xenobiotic metabolites for mass spectrometry-based chemical identification.
From: Large scale enzyme based xenobiotic identification for exposomics
a Human liver S9 enzyme prepared in a 96-well plate format capable of performing multiple xenobiotic reactions in a single plate. Human liver S9 enzymes perform Phase I and II biotransformation reactions to generate xenobiotic metabolites or other downstream adducts from reactive intermediates. b High-resolution mass spectrometry (HRMS) analysis of enzyme-generated xenobiotic metabolites provides authentic metabolites for matching accurate mass m/z, retention time (RT), and MS2 (if available) to detected metabolites in humans. Colored dots in each m/z RT dot plot represent spectral features that are identified from in vitro S9 reactions that could be matched to features detected in clinical or experimental studies. Co-occurrence of related xenobiotics in samples increases confidence in the identification of suspected exposure.
