Simultaneous Quantification and Screening of Per- and Polyfluoroalkyl Substances Using High Resolution Mass Spectrometry

Polyfluoroalkyl Substances (PFAS) in the Environment
Poster Presentation

Prepared by E. Parry1, C. McDonough2, T. Anumol1
1 - Agilent Technologies, 2850 Centerville Rd, Wilmington, DE, DE, United States
2 - Stony Brook University, 2441 Computer Sci Bldg, Stony Brook, NY, 11794, United States

Contact Information: [email protected]; 302-358-7390


Per and polyfluoroalkyl substances (PFAS) are chemicals widely used in consumer products and aqueous film-forming foams (AFFF) due to their unique and desirable chemical properties. Widespread usage and environmental persistence have made legacy PFAS ubiquitous in the environment and emerging fluoro-chemicals are being identified frequently. Traditional techniques utilizing LC-MS/MS provide sensitive quantification for targeted analyte lists but do not allow for screening of emerging PFAS compounds. We will present a workflow utilizing high-resolution mass spectrometry (HR-MS) that provides high-quality data suitable for quantification and screening through a single injection. Databases were built with and without spectra. The larger screening database was based on the US EPA Comptox Chemical Dashboard PFAS lists, while the smaller targeted database included MSMS spectra. Data was acquired for two diluted aqueous film-forming foam formulations (AFFF) to simulate impacted groundwater. Forty compounds were targeted for quantification, while screening encompassed a larger list, but less confident identifications were made. We discuss data acquisition considerations and best practices. Tools available for increasing the confidence of proposed structures will also be presented.