LipidCreator workbench to probe the lipidomic landscape

Bing Peng, Dominik Kopczynski, Brian S. Pratt, Christer S. Ejsing, Bo Burla, Martin Hermansson, Peter Imre Benke, Sock Hwee Tan, Mark Y. Chan, Federico Torta, Dominik Schwudke, Sven W. Meckelmann, Cristina Coman, Oliver J. Schmitz, Brendan MacLean, Mailin Christin Manke, Oliver Borst, Markus R. Wenk, Nils Hoffmann, Robert Ahrends*

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Abstrakt

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.

OriginalsprogEngelsk
Artikelnummer2057
TidsskriftNature Communications
Vol/bind11
ISSN2041-1723
DOI
StatusUdgivet - 2020

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  • Citationsformater

    Peng, B., Kopczynski, D., Pratt, B. S., Ejsing, C. S., Burla, B., Hermansson, M., Benke, P. I., Tan, S. H., Chan, M. Y., Torta, F., Schwudke, D., Meckelmann, S. W., Coman, C., Schmitz, O. J., MacLean, B., Manke, M. C., Borst, O., Wenk, M. R., Hoffmann, N., & Ahrends, R. (2020). LipidCreator workbench to probe the lipidomic landscape. Nature Communications, 11, [2057]. https://doi.org/10.1038/s41467-020-15960-z