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
2017
LipidPioneer : A Comprehensive User-Generated Exact Mass Template for Lipidomics
Ulmer C, Koelmel J, Ragland J, Garrett T, Bowden J. LipidPioneer : A Comprehensive User-Generated Exact Mass Template for Lipidomics. Journal Of The American Society For Mass Spectrometry 2017, 28: 562-565. PMID: 28074328, PMCID: PMC5557379, DOI: 10.1007/s13361-016-1579-6.Peer-Reviewed Original ResearchConceptsLipid speciesMass spectrometric techniquesNumber of carbonsUnique lipid speciesMass spectrometric analysisLipid oxidation productsMolecular formulaExact massCompound DiscovererChromatographic separationOxidation productsSpectrometric techniquesSample matrixLipid class levelsZ valuesAdduct massesLipid librarySpectrometric analysisDegree of unsaturationInclusion listIsotopic patternsEther-linked lipidsFragmentation experimentsBiological systemsFatty acyl constituents