LipidBlast in silico tandem mass spectrometry database for lipid identification

Nat Methods. 2013 Aug;10(8):755-8. doi: 10.1038/nmeth.2551. Epub 2013 Jun 30.


Current tandem mass spectral libraries for lipid annotations in metabolomics are limited in size and diversity. We provide a freely available computer-generated tandem mass spectral library of 212,516 spectra covering 119,200 compounds from 26 lipid compound classes, including phospholipids, glycerolipids, bacterial lipoglycans and plant glycolipids. We show platform independence by using tandem mass spectra from 40 different mass spectrometer types including low-resolution and high-resolution instruments.

Publication types

  • Research Support, N.I.H., Extramural
  • Research Support, Non-U.S. Gov't
  • Research Support, U.S. Gov't, Non-P.H.S.

MeSH terms

  • Databases, Factual*
  • Lipids / analysis*
  • Metabolomics / methods
  • Tandem Mass Spectrometry / methods*


  • Lipids