MetaboLights MTBLS1376 - GNPS LipidCreator workbench to probe the lipidomic landscape - Targeted lipidomics analysis of S. cerevisiae to determine true and false identification

ABSTRACT:

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 MTBLS1376, to validate the performance and accuracy of the transition lists provided by LipidCreator, we validated our theoretical calculations and the transition lists computed by LipidCreator experimentally, monitoring true and false targets on the model organism Saccharomyces cerevisiae. The lipidome of the yeast S. cerevisiae is well described and has been thoroughly investigated before. It has a limited number of fatty acyls and double bonds, and certain fatty acyls and lipid classes do not occur in it, which is important for our consecutive false identification calculations. Therefore, the yeast matrix from the theoretical calculation, 21 target lipids and 21 decoy lipids from commercially available lipid standards that are known to not be present in the yeast lipidome were selected. Based on our previous results, none of the lipid species was redundant among all three sets.

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

INSTRUMENT(S): Q Exactive|1001911

ORGANISM(S): Saccharomyces Cerevisiae|4932

SUBMITTER: Cristina Coman  

PROVIDER: MSV000085865 | GNPS | Fri Jul 31 22:37:00 BST 2020

REPOSITORIES: GNPS