ArticleAnalytical chemistry2026
Comprehensive Profiling of Human Urinary Mercapturic Acid Conjugates Associated with Exposure to Reactive Chemical Species Using Enzymatic Deacetylation and High-Resolution Mass Spectrometry.
Article in Analytical chemistry, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
Glutathione conjugation is a key metabolic detoxification pathway, and its downstream products, mercapturic acid conjugates (MACs), may serve as urinary biomarkers of toxicant exposure. However, MAC profiling is hindered by incomplete filtering coverage and the lack of comprehensive spectral and structural databases. To address these limitations, we developed an analytical workflow integrating novel enzymatic deacetylation with ultrahigh-performance liquid chromatography-high-resolution mass spectrometry (UHPLC-HRMS)-based neutral loss filtering. The aminoacylase-1-mediated deacetylation provides an orthogonal approach to detect MACs that lack the characteristic neutral loss of 129.0426 Da. Additionally, an in-house MAC library of 734,170 putative structures, combined with an
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