Discover the Future of PFAS Analysis With High-Resolution Mass Spectrometry

A comprehensive software workflow for non-targeted analysis of per- and polyfluoroalkyl substances (PFAS) by high-resolution mass spectrometry (HRMS) Environmental Application note | 001826 Authors Juan M. Sanchez and Ralf Tautenhahn Thermo Fisher Scientific, San Jose, CA Goal Provide an overview of the new untargeted PFAS analysis workflow capabilities within Thermo Scientific™ Compound Discoverer™ software Introduction The ubiquity and toxicity of a highly stable group of small molecules collectively known as per- and polyfluoroalkyl substances (PFAS) recently garnered concerns among health and environmental regulatory agencies globally.¹ Regulatory monitoring of PFAS has traditionally focused on the development of targeted quantitative methods by LC-MS/MS. These methods are limited in scope due to the lack of available certified reference standards. Over 9,000 known PFAS (with more PFAS being actively discovered) dictate the need for a comprehensive non-targeted analysis of PFAS by high-resolution accurate mass (HRAM). Numerous individual techniques effective at discriminating PFAS in complex matrices by using intrinsic attributes such as signature product ions, progressive retention times tied to chain length, and CF2-specific Kendrick mass defect are well documented in the literature.2-4 Additionally, fluorine’s physicochemical attributes, such as a characteristic negative mass defect and the formation of homologous series containing predictable CF₂ patterns resulting from industrial PFAS synthesis techniques, may be explo