Deciphering lipid structures based on platform-independent decision rules

Jürgen Hartler, Alexander Triebl, Andreas Ziegl, Martin Trötzmüller, Gerald N Rechberger, Oana Alina Zeleznik, Kathrin A Zierler, Federico Torta, Amaury Cazenave-Gassiot, Markus R Wenk, Alexander Fauland, Craig E Wheelock, Aaron M Armando, Oswald Quehenberger, Qifeng Zhang, Michael JO Wakelam, Guenter Haemmerle, Friedrich Spener, Harald C Köfeler, Gerhard G Thallinger

Research output: Contribution to journalArticleResearchpeer-review

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.

Original languageEnglish
Pages (from-to)1171-1174
JournalNature methods
Volume14
Issue number12
Early online date23 Oct 2017
DOIs
Publication statusPublished - 1 Dec 2017

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Lipids
Mass spectrometry
Software reliability
Tandem Mass Spectrometry
Chromatography
Molecular Structure
Molecular structure
Mass Spectrometry
Software
Genes
Throughput
Genome

Keywords

  • Algorithms
  • Animals
  • Chromatography, Liquid
  • Lipids
  • Liver
  • Mice
  • Molecular Structure
  • Reproducibility of Results
  • Sensitivity and Specificity
  • Tandem Mass Spectrometry
  • Journal Article
  • Lipidomics
  • High-throughput screening
  • Mass spectrometry
  • Software
  • Lipid fragmentation
  • Decision rules

Fields of Expertise

  • Human- & Biotechnology
  • Information, Communication & Computing

Treatment code (Nähere Zuordnung)

  • Application

Cooperations

  • BioTechMed-Graz

Cite this

Hartler, J., Triebl, A., Ziegl, A., Trötzmüller, M., Rechberger, G. N., Zeleznik, O. A., ... Thallinger, G. G. (2017). Deciphering lipid structures based on platform-independent decision rules. Nature methods, 14(12), 1171-1174. https://doi.org/10.1038/nmeth.4470

Deciphering lipid structures based on platform-independent decision rules. / Hartler, Jürgen; Triebl, Alexander; Ziegl, Andreas; Trötzmüller, Martin; Rechberger, Gerald N; Zeleznik, Oana Alina; Zierler, Kathrin A; Torta, Federico; Cazenave-Gassiot, Amaury; Wenk, Markus R; Fauland, Alexander; Wheelock, Craig E; Armando, Aaron M; Quehenberger, Oswald; Zhang, Qifeng; Wakelam, Michael JO; Haemmerle, Guenter; Spener, Friedrich; Köfeler, Harald C; Thallinger, Gerhard G.

In: Nature methods, Vol. 14, No. 12, 01.12.2017, p. 1171-1174.

Research output: Contribution to journalArticleResearchpeer-review

Hartler, J, Triebl, A, Ziegl, A, Trötzmüller, M, Rechberger, GN, Zeleznik, OA, Zierler, KA, Torta, F, Cazenave-Gassiot, A, Wenk, MR, Fauland, A, Wheelock, CE, Armando, AM, Quehenberger, O, Zhang, Q, Wakelam, MJO, Haemmerle, G, Spener, F, Köfeler, HC & Thallinger, GG 2017, 'Deciphering lipid structures based on platform-independent decision rules' Nature methods, vol. 14, no. 12, pp. 1171-1174. https://doi.org/10.1038/nmeth.4470
Hartler J, Triebl A, Ziegl A, Trötzmüller M, Rechberger GN, Zeleznik OA et al. Deciphering lipid structures based on platform-independent decision rules. Nature methods. 2017 Dec 1;14(12):1171-1174. https://doi.org/10.1038/nmeth.4470
Hartler, Jürgen ; Triebl, Alexander ; Ziegl, Andreas ; Trötzmüller, Martin ; Rechberger, Gerald N ; Zeleznik, Oana Alina ; Zierler, Kathrin A ; Torta, Federico ; Cazenave-Gassiot, Amaury ; Wenk, Markus R ; Fauland, Alexander ; Wheelock, Craig E ; Armando, Aaron M ; Quehenberger, Oswald ; Zhang, Qifeng ; Wakelam, Michael JO ; Haemmerle, Guenter ; Spener, Friedrich ; Köfeler, Harald C ; Thallinger, Gerhard G. / Deciphering lipid structures based on platform-independent decision rules. In: Nature methods. 2017 ; Vol. 14, No. 12. pp. 1171-1174.
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