Title:	Suspect screening for PFAS in groundwater with an accessible LC–MS workflow.
Authors:	SILVA, B. F. da BRUCKNER, K. N. QUEIROZ, S. C. do N. de BOTTOLI, C. B. G. CHOROVER, J. ABRELL, L.
Affiliation:	BIANCA F. DA SILVA, UNIVERSIDADE ESTADUAL DE CAMPINAS; KYA N. BRUCKNER, UNIVERSITY OF ARIZONA; SONIA CLAUDIA DO NASCIMENTO DE QUEIROZ, CNPMA; CARLA B. G. BOTTOLI, UNIVERSIDADE ESTADUAL DE CAMPINAS; JON CHOROVER, UNIVERSITY OF ARIZONA; LEIF ABRELL, UNIVERSITY OF ARIZONA.
Date Issued:	2026
Citation:	ACS Omega, v. 11, n. 13, p. 20145-20154, 2026., American Chemical Society (ACS), 2026
Description:	Abstract: Groundwater in North America is contaminated with per- and polyfluoroalkyl substances (PFAS) at more than 9500 locations. A major source of this contamination is aqueous film-forming foam (AFFF), widely used for fire suppression at military facilities and airfields. Many of the thousands of PFAS remain poorly characterized and are not amenable to targeted quantitative analytical methods, which allow them to remain undetected. Suspect screening, an analytical strategy that searches for potential or likely compounds from a predefined list without requiring analytical reference standards, combined with liquid chromatography-high resolution tandem mass spectrometry (LC-HRMS/MS), has emerged as an alternative or complementary approach to classical targeted analysis. Herein, an accessible suspect screening workflow was developed using data-dependent acquisitions and the NIST suspect list of 4712 PFAS, processed with TraceFinder software, followed by FreeStyle MS2 spectral management. Eleven PFAS were identified in AFFF-impacted groundwaters, including six compounds previously undetected by targeted experiments: 1H-perfluoropentane, 1H-perfluoroheptane, perfluorobutylsulfonamide (FBSA), perfluorohexanesulfonamide (FHxSA), perfluoropropanesulfonamide (FPrSA), and perfluoropropanesulfonic acid (PFPrS). Direct sample injection imposed sensitivity limitations, likely preventing the detection of additional PFAS present at lower concentrations. Nevertheless, the simplicity and reduced software investment requirements of this workflow make it a promising approach for broad adoption by the scientific community.
Thesagro:	Poluente Composto Orgânico Análise Química
NAL Thesaurus:	Groundwater contamination Organic compounds Pollutants Analytical methods Liquid chromatography Gas chromatography
Keywords:	PFAS Polyfluoroalkyl substances
ISSN:	2470-1343
DOI:	https://doi.org/10.1021/acsomega.5c08713
Type of Material:	Artigo de periódico
Access:	openAccess
Appears in Collections:	Artigo em periódico indexado (CNPMA)