A novel informatics concept for high-throughput shotgun lipidomics based on the molecular fragmentation query language
Ronny HerzogMax Planck Institute of Molecular Cell Biology and Genetics, Pfotenhauerstrasse 108, 01307 Dresden, GermanyDominik SchwudkeNational Centre for Biological Sciences, Tata Institute of Fundamental Research, GKVK, Bellary Road, Bangalore, 560065, IndiaKai SchuhmannMax Planck Institute of Molecular Cell Biology and Genetics, Pfotenhauerstrasse 108, 01307, Dresden, GermanyJúlio L. SampaioMax Planck Institute of Molecular Cell Biology and Genetics, Pfotenhauerstrasse 108, 01307, Dresden, GermanyStefan R. BornsteinDepartment of Internal Medicine III, Carl Gustav Carus Clinics of Dresden University of Technology, Fetscherstrasse 74, 01307, Dresden, GermanyMichael SchroederBiotechnology Centre, Dresden University of Technology, Tatzberg 47-51, 01307, Dresden, GermanyAndrej ShevchenkoMax Planck Institute of Molecular Cell Biology and Genetics, Pfotenhauerstrasse 108, 01307, Dresden, Germany
2011en
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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.
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