Ontology highlight
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 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; MTBLS1381; LipidCreator: Platelet isolation and stimulation - Targeted Lipid Mediator Profiling MTBLS1382; LipidCreator: Platelet isolation and stimulation - DIA Lipid Mediator Validation
INSTRUMENT(S): N/A
ORGANISM(S): Standard Reference Vector Pmcs|1488197
SUBMITTER: Robert Ahrends
PROVIDER: MSV000085747 | GNPS | Tue Jul 14 11:42:00 BST 2020
REPOSITORIES: GNPS