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Non-Target PFAS Analysis in Dried Blood Spots Using the Agilent 6546 LC/Q-TOF with Profinder and FluoroMatch

 

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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…
Key words
fluoromatch, fluoromatchlibraries, librariesbiotransformation, biotransformationpicking, pickingdda, ddavisualizations, visualizationsworkflow, workflowpfas, pfasbiotransformed, biotransformedmzannotation, mzannotationuncommonly, uncommonlymzmine, mzminehrms, hrmscomptox, comptoxvisualizer
FluoroMatch Flow and Visualizer are New Tools for Streamlined PFAS Annotation and Visualization Jeremy P. Koelmel1, Paul Stelben1, Krystal J. Pollitt1, Stephan Baumann2, Emma Rennie2, Marcus Chadha3, Carrie A. McDonough4 1Yale School of Public Health, 60 College St., New Haven,…
Key words
fluoromatch, fluoromatchacid, acidvisualizer, visualizerpfas, pfasphosphinic, phosphinictridecafluorohexyl, tridecafluorohexylsilico, silicoheptadecafluorooctyl, heptadecafluorooctylscoring, scoringafff, afffsystematic, systematicannotation, annotationvendor, vendorfiles, filesbis
Poster Reprint ASMS 2022 Poster number TP090 Novel Algorithms and Visualizations for Discovering Polymers and Chemical Series in Industrial and Environmental Applications Jeremy P Koelmel1, David Weil2, Paul Stelben1, David Godri3, Jiarong Qi1, Emma Rennie2, Elizabeth Lin1, John A Bowden4,5,…
Key words
polymatch, polymatchpolymers, polymersrepeating, repeatingworkflow, workflowvisualizer, visualizermotifs, motifschemical, chemicalvisualizations, visualizationsdiscovering, discoveringcompiled, compiledmoieties, moietiesannotations, annotationslipidomics, lipidomicsdefect, defectframework
All-in-one Data-Processing and Interactive Visualizations of Lipid LC-HRMS/MS Data using LipidMatch 4.0 Introduction 1Yale University, New Haven, CT; 2Innovative Omics, Sarasota, FL; 3Mudai Studios, Sarasota, FL; 4Denali Therapeutics, San Francisco, CA; 5Agilent Technologies, Santa Clara, CA; 6University of Florida, Gainesville,…
Key words
lipidmatch, lipidmatchdda, ddainteractive, interactiveannotation, annotationvisualizations, visualizationsunknowns, unknownsabc, abcpicking, pickingannotations, annotationsworkflow, workflowsoftware, softwarespecies, speciesexist, existmzmine, mzminehrms
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