PFAS, a group of highly stable small molecules full of toxicity that appear in every corner of the globe, demands a comprehensive approach to protect the integrity of our environment. Traditional methods fall short due to the lack of available certified reference standards.
This app note highlights a combination of various analysis techniques, formula prediction, spectral libraries and data reduction approaches to simplify PFAS detection.
Download this app note to discover:
- A comprehensive software workflow for non-targeted analysis using high-resolution mass spectrometry
- How to streamline the identification and annotation of novel PFAS, even in the absence of authentic reference standards
- Data reduction techniques that enable the transition from complex matrices to meaningful insights
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