LipidCreator workbench to probe the lipidomic landscape - Collision Energy Optimization and Fragment Intensity Prediction for Lipid Mediators, Agilent QTof

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.

In MTBLS1334, 55 lipid mediator standards were used to study the lipid fragmentation on the Agilent QTof 6545 MS platform (Agilent Technologies, Waldbronn, Germany), build optimal collision energy models and create an in-silico spectral library for use with LipidCreator. Lipid fragment masses of mediators were validated with the Metlin database (https://metlin.scripps.edu/).

Studies linked to this manuscript include;
MTBLS1333; LipidCreator: Collision Energy Optimization and Fragment Intensity Prediction for Lipid Mediators - Thermo QExactive HF
MTBLS1334; LipidCreator: Collision Energy Optimization and Fragment Intensity Prediction for Lipid Mediators - Agilent QTof
MTBLS1369; LipidCreator: Platelet isolation and stimulation - Targeted Phospho- and Glycerolipid Profiling
MTBLS1375; LipidCreator: Targeted lipidomics analysis of Human Plasma samples and comparison with NIST SRM 1950 standard
MTBLS1376; LipidCreator: Targeted lipidomics analysis of S. cerevisiae to determine true and false identification
MTBLS1381; LipidCreator: Platelet isolation and stimulation - Targeted Lipid Mediator Profiling
MTBLS1382; LipidCreator: Platelet isolation and stimulation - DIA Lipid Mediator Validation