De Novo PFAS Annotation and Classification Using Highly Accurate Formula Prediction and Kaufmann Algorithms Embedded in FluoroMatchSuite

Leveraging the MS1 Dimension and Formula Prediction in Non-Targeted Analysis of PFAS using New FluoroMatch Algorithms: Assessing Confidence and Coverage David Schiessel* [1]; Jeremy Koelmel [2]; Michael Kummer [1]; David Godri [3]; Sheng Liu [2]; Elizabeth Z. Lin [2]; John…

Poster Reprint ASMS 2026 ThP 357 Evaluation of a Consensus Based MS/MS Library Matching Algorithm and Integration into a Non-Targeted Software Platform for Increasing Exposome Coverage David Schiessel1, Jeremy P. Koelmel1, Olivier Chevallier2, David Godri3, Randolph R. Singh4, Thomas O.…

Application Note PFAS Non-Target PFAS Analysis in Dried Blood Spots Using the Agilent 6546 LC/Q-TOF with Profinder and FluoroMatch Authors Jeremy Koelmel, Elizabeth Lin, Paul Stelben, and Krystal Pollitt Yale University Emily Parry, Emma Rennie, and James Pyke Agilent Technologies,…

Application note | 003883 Environmental Comprehensive non-targeted workflow for confident identification of perfluoroalkyl substances (PFAS) Richard Cochran1, Sarah Choyke2, Application benefits Collin Meyers2, Ralf Tautenhahn3 • High-resolution accurate-mass (HRAM) data acquired using the Thermo Scientific™ Orbitrap Exploris™ mass spectrometer platform…