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BioMed Central, Genome Biology, 1(12), p. R8

DOI: 10.1186/gb-2011-12-1-r8

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A novel informatics concept for high-throughput shotgun lipidomics based on the molecular fragmentation query language

Journal article published in 2011 by Ronny Herzog, Dominik Schwudke, Kai Schuhmann, Julio L. Sampaio ORCID, Stefan R. Bornstein, Michael Schroeder, Andrej Shevchenko
This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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Abstract

Abstract Shotgun lipidome profiling relies on direct mass spectrometric analysis of total lipid extracts from cells, tissues or organisms and is a powerful tool to elucidate the molecular composition of lipidomes. We present a novel informatics concept of the molecular fragmentation query language implemented within the LipidXplorer open source software kit that supports accurate quantification of individual species of any ionizable lipid class in shotgun spectra acquired on any mass spectrometry platform.