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 language | English |
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Pages (from-to) | 1171-1174 |
Journal | Nature Methods |
Volume | 14 |
Issue number | 12 |
Early online date | 23 Oct 2017 |
DOIs | |
Publication status | Published - 1 Dec 2017 |
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