The use of gas chromatography - high resolution mass spectrometry for suspect screening and non-targeted analysis of per- and polyfluoroalkyl substances.

ABSTRACT: This study is a workflow development for the analysis, identification, and categorization of per- and polyfluoroalkyl substances (PFAS) using gas chromatography-high resolution mass spectrometry (GC-HRMS) with non-targeted analysis (NTA) and suspect screening techniques. The behavior of various PFAS in a GC-HRMS was studied with regards to retention indices, ionization susceptibility, fragmentation patterns, etc. A custom PFAS database was constructed from 141 diverse PFAS. The database contains mass spectra from electron ionization (EI) mode, as well as MS and MS/MS spectra from positive and negative chemical ionization (PCI and NCI, respectively) modes. Common fragments of PFAS were identified across a diverse set of 141 PFAS analyzed. A workflow for suspect screening of PFAS and partial

SUBMITTER: Casey JS 

PROVIDER: S-EPMC10284305 | biostudies-literature | 2023 Mar

REPOSITORIES: biostudies-literature