A novel informatics concept for high-throughput shotgun lipidomics based on the molecular fragmentation query language.
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ABSTRACT:
SUBMITTER: Herzog R
PROVIDER: S-EPMC3091306 | biostudies-literature | 2011
REPOSITORIES: biostudies-literature
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A novel informatics concept for high-throughput shotgun lipidomics based on the molecular fragmentation query language.
Herzog Ronny R Schwudke Dominik D Schuhmann Kai K Sampaio Julio L JL Bornstein Stefan R SR Schroeder Michael M Shevchenko Andrej A
Genome biology 20110119 1
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 platfor ...[more]
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