LipidBlast in silico tandem mass spectrometry database for lipid identification

Tobias Kind, Kwang Hyeon Liu, Do Yup Lee, Brian Defelice, John K. Meissen, Oliver Fiehn

Research output: Contribution to journalArticle

325 Citations (Scopus)

Abstract

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.

Original languageEnglish (US)
Pages (from-to)755-758
Number of pages4
JournalNature Methods
Volume10
Issue number8
DOIs
StatePublished - Aug 2013

Fingerprint

Tandem Mass Spectrometry
Computer Simulation
Mass spectrometry
Databases
Lipids
Metabolomics
Glycolipids
Mass spectrometers
Libraries
Lipopolysaccharides
Phospholipids
3-(5-nitrofuryl)-7-(5-nitrofurfurylidene)-3,3a,4,5,6,7-hexahydro-2H-indazole

ASJC Scopus subject areas

  • Biotechnology
  • Molecular Biology
  • Biochemistry
  • Cell Biology

Cite this

Kind, T., Liu, K. H., Lee, D. Y., Defelice, B., Meissen, J. K., & Fiehn, O. (2013). LipidBlast in silico tandem mass spectrometry database for lipid identification. Nature Methods, 10(8), 755-758. https://doi.org/10.1038/nmeth.2551

LipidBlast in silico tandem mass spectrometry database for lipid identification. / Kind, Tobias; Liu, Kwang Hyeon; Lee, Do Yup; Defelice, Brian; Meissen, John K.; Fiehn, Oliver.

In: Nature Methods, Vol. 10, No. 8, 08.2013, p. 755-758.

Research output: Contribution to journalArticle

Kind, T, Liu, KH, Lee, DY, Defelice, B, Meissen, JK & Fiehn, O 2013, 'LipidBlast in silico tandem mass spectrometry database for lipid identification', Nature Methods, vol. 10, no. 8, pp. 755-758. https://doi.org/10.1038/nmeth.2551
Kind T, Liu KH, Lee DY, Defelice B, Meissen JK, Fiehn O. LipidBlast in silico tandem mass spectrometry database for lipid identification. Nature Methods. 2013 Aug;10(8):755-758. https://doi.org/10.1038/nmeth.2551
Kind, Tobias ; Liu, Kwang Hyeon ; Lee, Do Yup ; Defelice, Brian ; Meissen, John K. ; Fiehn, Oliver. / LipidBlast in silico tandem mass spectrometry database for lipid identification. In: Nature Methods. 2013 ; Vol. 10, No. 8. pp. 755-758.
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