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 conferencePoster


LC-MS is the method of choice to measure quantitative changes of hundreds of lipids in complex mixtures simultaneously. However,many lipid species are isobaric, resulting inambiguities about the true identity of the lipid in MS1 data. MSn spectra carry the potential to elucidate many structural features of lipid species: the lipid class, their constituent fatty acids, and in most cases the sn-position. However, MSn spectra of a lipid can vary tremendously, because the fragmentation process depends on parameters such as mass spectrometer used, collision energy, and adduct ions. As currently available tools use static databases containing fragment masses,and are as such limited to specific instrumental-setups, we developed a flexible algorithm for automatic identification of lipid structures.

Original languageEnglish
Publication statusPublished - 18 Oct 2017
Event2nd FoE Day Human- & Biotechnology - HS E3.1, Petersgasse 10-12, Graz, Austria
Duration: 18 Oct 201718 Oct 2017


Other2nd FoE Day Human- & Biotechnology


  • 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


  • BioTechMed-Graz


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