Expanding PFAS Identification with Transformation Product Libraries: Nontargeted Analysis Reveals Biotransformation Products in Mice
Liu S, Dukes D, Koelmel J, Stelben P, Finch J, Okeme J, Lowe C, Williams A, Godri D, Rennie E, Parry E, McDonough C, Pollitt K. Expanding PFAS Identification with Transformation Product Libraries: Nontargeted Analysis Reveals Biotransformation Products in Mice. Environmental Science And Technology 2024, 59: 119-131. PMID: 39704186, DOI: 10.1021/acs.est.4c07750.Peer-Reviewed Original ResearchConceptsMass spectral libraryTransformation productsLiquid chromatography-high resolution mass spectrometryProduct libraryPolyfluoroalkyl substancesBiological transformation productsSpectral libraryFragmentation rulesBehavior of PFASPotential transformation productsMass spectrometryToxicity predictionChemical subclassesReaction productsLiver S9 fractionBiotransformation productsEnzymatic reactionsMutagenic toxicityReactionMouse liver S9 fractionBiological systemsS9 fractionDealkylationChemicalSpectrometry
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