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
2017
LipidMatch: an automated workflow for rule-based lipid identification using untargeted high-resolution tandem mass spectrometry data
Koelmel J, Kroeger N, Ulmer C, Bowden J, Patterson R, Cochran J, Beecher C, Garrett T, Yost R. LipidMatch: an automated workflow for rule-based lipid identification using untargeted high-resolution tandem mass spectrometry data. BMC Bioinformatics 2017, 18: 331. PMID: 28693421, PMCID: PMC5504796, DOI: 10.1186/s12859-017-1744-3.Peer-Reviewed Original ResearchConceptsLipid identificationNumerous biological functionsHigh-resolution tandem mass spectrometry dataMass spectrometry workflowsUncharacterized adductsBiological functionsLipid typeStructural detailsLipid-based biomarkersPathway perturbationsTandem mass spectrometry dataSpectral similarity scoreCorrect annotationLipid speciesMass spectrometry dataLiquid chromatography-tandem mass spectrometry (LC-MS/MS) workflowSilico FragmentMass spectrometry experimentsLipid candidatesEtiology of diseaseLipid moleculesAnnotationFatty acyl constituentsBiomarker discoveryDisease etiologyCorrigendum to “Common cases of improper lipid annotation using high-resolution tandem mass spectrometry data and corresponding limitations in biological interpretation” [Biochim. Biophys. Acta 1862(8) (2017) 766–770]
Koelmel J, Ulmer C, Jones C, Yost R, Bowden J. Corrigendum to “Common cases of improper lipid annotation using high-resolution tandem mass spectrometry data and corresponding limitations in biological interpretation” [Biochim. Biophys. Acta 1862(8) (2017) 766–770]. Biochimica Et Biophysica Acta (BBA) - Molecular And Cell Biology Of Lipids 2017, 1862: 1024. PMID: 28648965, DOI: 10.1016/j.bbalip.2017.06.013.Peer-Reviewed Original ResearchCommon cases of improper lipid annotation using high-resolution tandem mass spectrometry data and corresponding limitations in biological interpretation
Koelmel J, Ulmer C, Jones C, Yost R, Bowden J. Common cases of improper lipid annotation using high-resolution tandem mass spectrometry data and corresponding limitations in biological interpretation. Biochimica Et Biophysica Acta (BBA) - Molecular And Cell Biology Of Lipids 2017, 1862: 766-770. PMID: 28263877, PMCID: PMC5584053, DOI: 10.1016/j.bbalip.2017.02.016.Peer-Reviewed Original Research