biostudies-literaturePeng BVillum FondenNIGMS NIH HHS2057https://www.ebi.ac.uk/biostudies/studies/S-EPMC7188904biostudies-literatureUnknown11(1)Mass spectrometry (MS)-based targeted lipidomics enables the robust quantification of selected lipids under various biological conditions but comprehensive software tools to support such analyses are lacking. Here we present LipidCreator, a software that fully supports targeted lipidomics assay development. LipidCreator offers a comprehensive framework to compute MS/MS fragment masses for over 60 lipid classes. LipidCreator provides all functionalities needed to define fragments, manage stable isotope labeling, optimize collision energy and generate in silico spectral libraries. We validate LipidCreator assays computationally and analytically and prove that it is capable to generate large targeted experiments to analyze blood and to dissect lipid-signaling pathways such as in human platelets.Nature communicationsLipidCreator workbench to probe the lipidomic landscape.PMC7188904R01 GM10355100007363Ahrends RMeckelmann SWComan CMacLean BSchwudke DWenk MRBurla BSchmitz OJPratt BSTan SHBorst OPeng BKopczynski DChan MYTorta FEjsing CSHoffmann NManke MCBenke PIHermansson MfalseLipidCreator workbench to probe the lipidomic landscape.Mass spectrometry (MS)-based targeted lipidomics enables the robust quantification of selected lipids under various biological conditions but comprehensive software tools to support such analyses are lacking. Here we present LipidCreator, a software that fully supports targeted lipidomics assay development. LipidCreator offers a comprehensive framework to compute MS/MS fragment masses for over 60 lipid classes. LipidCreator provides all functionalities needed to define fragments, manage stable isotope labeling, optimize collision energy and generate in silico spectral libraries. We validate LipidCreator assays computationally and analytically and prove that it is capable to generate large targeted experiments to analyze blood and to dissect lipid-signaling pathways such as in human platelets.2020-01-01T00:00:00Z2020 Apr2025-04-22T09:15:05.674Z2020-05-22T18:57:02ZS-EPMC71889043234597210.1038/s41467-020-15960-z