2022
Interactive software for visualization of nontargeted mass spectrometry data—FluoroMatch visualizer
Koelmel J, Stelben P, Godri D, Qi J, McDonough C, Dukes D, Aristizabal-Henao J, Bowden J, Sternberg S, Rennie E, Pollitt K. Interactive software for visualization of nontargeted mass spectrometry data—FluoroMatch visualizer. Exposome 2022, 2: osac006. DOI: 10.1093/exposome/osac006.Peer-Reviewed Original ResearchData processingOpen source free softwareData visualization toolsInteractive visualizationInteractive softwareVisualization toolsFeatures of interestFree softwareFiltering optionsVisualizerAnnotationManual reviewSoftwareVisualizationAnnotation confidenceInteractive formatExtensive manual reviewAssignment confidenceMetadataProcessingUsersNontargeted mass spectrometryDatasetGraphTable
2020
Toward Comprehensive Per- and Polyfluoroalkyl Substances Annotation Using FluoroMatch Software and Intelligent High-Resolution Tandem Mass Spectrometry Acquisition
Koelmel JP, Paige MK, Aristizabal-Henao JJ, Robey NM, Nason SL, Stelben PJ, Li Y, Kroeger NM, Napolitano MP, Savvaides T, Vasiliou V, Rostkowski P, Garrett TJ, Lin E, Deigl C, Jobst K, Townsend TG, Pollitt K, Bowden JA. Toward Comprehensive Per- and Polyfluoroalkyl Substances Annotation Using FluoroMatch Software and Intelligent High-Resolution Tandem Mass Spectrometry Acquisition. Analytical Chemistry 2020, 92: 11186-11194. PMID: 32806901, DOI: 10.1021/acs.analchem.0c01591.Peer-Reviewed Original ResearchConceptsNumber of annotationsSoftware librarySoftware applicationsFile conversionData analysis softwareData acquisition methodsFeature filteringTandem mass spectrometry acquisitionAnnotationSoftwareData setsWide coveragePeak pickingAnalysis softwareUsersThroughputExtensive data setFilteringPickingRelated fragmentsSetLibraryEnvironmentRulesMass spectrometry acquisition