Targeted and Non-Targeted Analysis LC-Orbitrap MS Workflow for Analysis of More than 40,000 PFAS CompoundsEmerging Environmental Applications for High Resolution Mass Spectrometry
Oral Presentation
Presented by C. Grim
Prepared by C. Grim
ThermoFisher Scientific, 355 River Oaks Pkwy, San Jose, California, 95134, US
Contact Information: [email protected];
ABSTRACT
A panel of 40 PFAS compounds of interest to most regulatory bodies was quantified alongside untargeted analysis across multiple environmental matrices. Quantitative results show limits of quantitation down to part per trillion levels for most analytes from an initial volume of 500 mL of sample. An SPE sample preparation method following EPA 1633 was applied to the samples, which provides a cleaner, more concentrated sample than direct injection approaches. By using an orbitrap mass analyzer, high mass accuracy reduces chances of false formula assignments. With a new in-silico library, more tentative candidate structures with empirical formulas could be determined. Reviewing putative library identifications alongside other factors such as retention time correlated with mass, molecular mass divided by number of carbon atoms, and mass defect provides a multifaceted approach to identifying PFAS compounds. This overall workflow provides a solution to both quantify known PFAS and explore unknown PFAS with confidence.
