Abstract
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 language | English |
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Publication status | Published - 13 Sept 2017 |
Event | 13th Basel Computational Biology Conference - Congress Center Basel , Basel, Switzerland Duration: 12 Sept 2017 → 15 Sept 2017 https://www.bc2.ch/2017 |
Conference
Conference | 13th Basel Computational Biology Conference |
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Abbreviated title | [BC]2 |
Country/Territory | Switzerland |
City | Basel |
Period | 12/09/17 → 15/09/17 |
Internet address |
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