Efficient PFAS prioritization in non-target HRMS data: systematic evaluation of the novel MD/C-m/C approach.

ABSTRACT: Non-target screening (NTS) based on high-resolution mass spectrometry (HRMS) is necessary to comprehensively characterize per- and polyfluoroalkyl substances (PFAS) in environmental, biological, and technical samples due to the very limited availability of authentic PFAS reference standards. Since in trace analysis, MS/MS information is not always achievable and only selected PFAS are present in homologous series, further techniques to prioritize measured HRMS data (features) according to their likelihood of being PFAS are highly desired due to the importance of efficient data reduction during NTS. Kaufmann et al. (J AOAC Int, 2022) presented a very promising approach to separate selected PFAS from sample matrix features by plotting the mass defect (MD) normalized to the number of carbons

SUBMITTER: Zweigle J 

PROVIDER: S-EPMC10049945 | biostudies-literature | 2023 Apr

REPOSITORIES: biostudies-literature