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

Ronny Herzog12, Dominik Schwudke13, Kai Schuhmann12, Julio L Sampaio1, Stefan R Bornstein2, Michael Schroeder4 and Andrej Shevchenko1*

Author Affiliations

1 Max Planck Institute of Molecular Cell Biology and Genetics, Pfotenhauerstrasse 108, 01307 Dresden, Germany

2 Department of Internal Medicine III, Carl Gustav Carus Clinics of Dresden University of Technology, Fetscherstrasse 74, 01307 Dresden, Germany

3 National Centre for Biological Sciences, Tata Institute of Fundamental Research, GKVK, Bellary Road, Bangalore 560065, India

4 Biotechnology Centre, Dresden University of Technology, Tatzberg 47-51, 01307 Dresden, Germany

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Genome Biology 2011, 12:R8  doi:10.1186/gb-2011-12-1-r8

Published: 19 January 2011


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.