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

Genome Biol. 2011;12(1):R8. doi: 10.1186/gb-2011-12-1-r8. Epub 2011 Jan 19.


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.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Algorithms
  • Computational Biology*
  • Databases, Factual
  • Lipids / analysis*
  • Lipids / chemistry*
  • Mass Spectrometry
  • Programming Languages*
  • Reproducibility of Results
  • Software*


  • Lipids