Leveraging the MS1 Dimension and Formula Prediction in Non-Targeted Analysis of PFAS using New FluoroMatch Algorithms: Assessing Confidence and Coverage

Poster Reprint ASMS 2025 Poster number WP 113 De Novo PFAS Annotation and Classification Using Highly Accurate Formula Prediction and Kaufmann Algorithms Embedded in FluoroMatch Suite Jeremy Koelmel1; Michael Kummer2; David Schiessel2; Olivier Chevallier3; David Godri4; Christian Klein3; Emma E…

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,…

FluoroMatch 3.0 – Automated PFAS Non-Targeted Analysis and Visualizations Applied to Mammalian Biofluids Michael Kummer1; Nandarani Abril1; Emily Parry2; Sheng Liu3; Carrie A McDonough4; David Dukes5; David Godri6; Elizabeth Z. Lin3; Emma E Rennie2; Jeremy Koelmel3; Krystal J Godri Pollitt3…

Non-targeted analysis, interactive visualization, and online sharing of interactive LC-HRMS/MS data of polymers using a comprehensive software PolyMatch Suite Introduction Jeremy Koelmel [1]; David A Weil [2]; Emma E. Rennie* [2]; Paul Stelben [1]; Nicholas Oranzi [3]; Michael Kummer [4];…