Deciphering lipid structures based on platform-independent decision rules

Nat Methods. 2017 Dec;14(12):1171-1174. doi: 10.1038/nmeth.4470. Epub 2017 Oct 23.

Abstract

We achieve automated and reliable annotation of lipid species and their molecular structures in high-throughput data from chromatography-coupled tandem mass spectrometry using decision rule sets embedded in Lipid Data Analyzer (LDA; http://genome.tugraz.at/lda2). Using various low- and high-resolution mass spectrometry instruments with several collision energies, we proved the method's platform independence. We propose that the software's reliability, flexibility, and ability to identify novel lipid molecular species may now render current state-of-the-art lipid libraries obsolete.

MeSH terms

  • Algorithms
  • Animals
  • Chromatography, Liquid / methods*
  • Lipids / analysis*
  • Lipids / chemistry*
  • Liver / chemistry
  • Mice
  • Molecular Structure
  • Reproducibility of Results
  • Sensitivity and Specificity
  • Tandem Mass Spectrometry / methods*

Substances

  • Lipids