Presentation via Zoom By Lydia Babcock-Adams, National MagLab

Title: Exploring the Fluorinome of PFAS-Impacted Groundwater using Ultrahigh Resolution Mass Spectrometry

Host: Science Council's MagX Presentation

Discussion Leader: Martha Aguilera

Abstract: Per- and polyfluoroalkyl substances (PFAS) are widespread environmental contaminants whose full ecological and health impacts remain poorly understood because standard monitoring methods fail to detect low-abundance or novel chemical variants within complex environmental matrices. Bridging this analytical gap requires pairing improved chromatographic separation with extreme mass measurement capabilities to untangle complex chemical mixtures. The ultrahigh resolving power achieved thanks to the high field 21 Tesla Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometer allows for non-targeted chemical profiling, offering unmatched signal resolution, high dynamic range, and sub-parts-per-million mass accuracy. When integrated with optimized separation techniques, a Python-based computational workflow, and a 20-million-compound formula database, the 21 T FT-ICR mass spectrometer overcomes traditional background interference to resolve subtle chemical distinctions in complex matrices like firefighting foams and contaminated groundwater. Ultimately, the extreme resolving power of the 21 T field enables the confident detection of low-concentration organofluorine species—validating known contaminants while revealing dozens of previously undetected PFAS classes—thereby transforming our ability to map unknown environmental risks.