2025
FluoroMatch IM: An Interactive Software for PFAS Analysis by Ion Mobility Spectrometry
Smolinski R, Koelmel J, Stelben P, Weil D, Godri D, Schiessel D, Kummer M, Stow S, Mohsin S, Royer L, McKenzie-Coe A, Lubinsky T, DeBord D, Chevallier O, Rennie E, Pollitt K, McDonough C. FluoroMatch IM: An Interactive Software for PFAS Analysis by Ion Mobility Spectrometry. Environmental Science And Technology 2025, 59: 6636-6648. PMID: 40133053, PMCID: PMC11984190, DOI: 10.1021/acs.est.4c13846.Peer-Reviewed Original ResearchConceptsCollision cross-sectionsNontargeted analysisAccurate mass matchingMass defect filteringIon mobility spectrometryHigh-resolution mass spectrometryPolyfluoroalkyl substance analysisPolyfluoroalkyl substancesMobility spectrometryDefect filteringNontargeted workflowsIon mobilityWastewater samplesMass matchingMass spectrometryPFAS analysisTrace levelsTarget annotationsComplex mixturesAnalytical chemistsIonsSpectrometryStandard mixEnvironmental samplesChemists
2018
Optimization of Electrospray Ionization Source Parameters for Lipidomics To Reduce Misannotation of In-Source Fragments as Precursor Ions
Gathungu R, Larrea P, Sniatynski M, Marur V, Bowden J, Koelmel J, Starke-Reed P, Hubbard V, Kristal B. Optimization of Electrospray Ionization Source Parameters for Lipidomics To Reduce Misannotation of In-Source Fragments as Precursor Ions. Analytical Chemistry 2018, 90: 13523-13532. PMID: 30265528, PMCID: PMC6297073, DOI: 10.1021/acs.analchem.8b03436.Peer-Reviewed Original ResearchConceptsSource fragmentsIonization source parametersSource fragmentationPrecursor ionsComplex samplesHeated electrospray ionization sourceElectrospray ionization sourceNegative ion modeIon modeTrace lipidsIonization sourceChromatographic separationLipid standardsComplex matricesShotgun lipidomicsIonsInterlaboratory comparison exerciseRelevant lipidsAppropriate source conditionsIdentical massLipidomicsAbundant massBiological relevancePotential misannotationsExactive
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