Journal article
Toward Comprehensive Per- and Polyfluoroalkyl Substances Annotation Using FluoroMatch Software and Intelligent High-Resolution Tandem Mass Spectrometry Acquisition
Abstract
Thousands of per- and polyfluoroalkyl substances (PFAS) exist in the environment and pose a potential health hazard. Suspect and nontarget screening with liquid chromatography (LC)-high-resolution tandem mass spectrometry (HRMS/MS) can be used for comprehensive characterization of PFAS. To date, no automated open source PFAS data analysis software exists to mine these extensive data sets. We introduce FluoroMatch, which automates file …
Authors
Koelmel JP; Paige MK; Aristizabal-Henao JJ; Robey NM; Nason SL; Stelben PJ; Li Y; Kroeger NM; Napolitano MP; Savvaides T
Journal
Analytical Chemistry, Vol. 92, No. 16, pp. 11186–11194
Publisher
American Chemical Society (ACS)
Publication Date
August 18, 2020
DOI
10.1021/acs.analchem.0c01591
ISSN
0003-2700