2019
Software tool for internal standard based normalization of lipids, and effect of data-processing strategies on resulting values
Koelmel J, Cochran J, Ulmer C, Levy A, Patterson R, Olsen B, Yost R, Bowden J, Garrett T. Software tool for internal standard based normalization of lipids, and effect of data-processing strategies on resulting values. BMC Bioinformatics 2019, 20: 217. PMID: 31035918, PMCID: PMC6489209, DOI: 10.1186/s12859-019-2803-8.Peer-Reviewed Original ResearchConceptsInternal standardClose retention timesLC-MS/MS studiesMultiple internal standardsTarget analytesLipidomics workflowsLipid standardsMS studiesNormalization of lipidsPeak areaAdductsLipid structureFeature findingAnalytesHuman plasmaBiological systemsLipid classesIndividual internal standardsEther-linked phosphatidylcholinesClinical utilityRetention timeClinical diagnosisQuantitation processLipid speciesUnderstanding of health
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