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

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Herzog,  Ronny
Max Planck Institute of Molecular Cell Biology and Genetics, Max Planck Society;

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Schwudke,  Dominik
Max Planck Institute of Molecular Cell Biology and Genetics, Max Planck Society;

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Schuhmann,  Kai
Max Planck Institute of Molecular Cell Biology and Genetics, Max Planck Society;

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Sampaio,  Julio
Max Planck Institute of Molecular Cell Biology and Genetics, Max Planck Society;

Bornstein,  Stefan R.
Max Planck Society;

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Schroeder,  Michael
Max Planck Institute of Molecular Cell Biology and Genetics, Max Planck Society;

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Shevchenko,  Andrej
Max Planck Institute of Molecular Cell Biology and Genetics, Max Planck Society;

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Citation

Herzog, R., Schwudke, D., Schuhmann, K., Sampaio, J., Bornstein, S. R., Schroeder, M., et al. (2011). A novel informatics concept for high-throughput shotgun lipidomics based on the molecular fragmentation query language. Genome Biology, 12(1): R8.


Cite as: http://hdl.handle.net/21.11116/0000-0001-09BD-1
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.