Enhancing PFAS Detection Using FluoroMatch Software

This technical report evaluates the performance of Agilent FluoroMatch software in improving data-independent analysis (DIA) for the detection and characterization of per- and polyfluoroalkyl substances (PFAS) in complex environmental samples. The study utilized samples from NIST PFAS Interlaboratory Studies to assess the software's capabilities in processing fragmentation data from an Agilent Revident LC/Q-TOF system. FluoroMatch automates several data analysis steps, including peak picking and blank filtering, and features an extensive PFAS fragmentation library. Results indicated that the All Ions MS/MS mode significantly enhanced compound coverage in less complex samples, while iterative exclusion provided additional coverage in more complex matrices. The integration of IonDecon and FluoroMatch Visualizer further improves PFAS analysis, offering a systematic approach for identifying and characterizing environmental contaminants. The report outlines the methodologies employed, experimental conditions, and results, demonstrating the effectiveness of FluoroMatch in nontargeted PFAS analysis.