Curated PFAS Suspect List for Environmental Screening using ESI–/ESI+ HRMS (866 compounds)

This per- and polyfluoroalkyl substances (PFAS) suspect list, adapted from the list by Munoz et al. (2022), includes only PFAS likely to be analyzed using LC-ESI–/+-HRMS. The list comprises 866 compounds across 63 PFAS classes, curated for their relevance in environmental analysis based on the literature. It is provided as an Excel file, including one ESI– sheet and one ESI+ sheet, containing compounds likely to be ionized in ESI– and ESI+, respectively. For each compound listed, the following information is provided: name, molecular formula, SMILES example, exact mass of [M–H]– or [M+H]+, structure example(s), and previous mention(s) in environmental studies. This suspect list was initially developed within a suspect screening framework for PFAS biomonitoring in marine environments, specifically in French coastal bivalves. The associated study, “Suspect Screening of PFAS in French Coastal Bivalves: In-Depth Detection and Annotation Using Aqueous Film-Forming Foams”, can be found at https://pubs.acs.org/doi/10.1021/acs.est.5c05758.