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

    Publikation: KonferenzbeitragPoster

    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.

    Originalspracheenglisch
    PublikationsstatusVeröffentlicht - 18 Okt. 2017
    Veranstaltung2nd FoE Day Human- & Biotechnology - HS E3.1, Petersgasse 10-12, Graz, Österreich
    Dauer: 18 Okt. 201718 Okt. 2017

    Sonstiges

    Sonstiges2nd FoE Day Human- & Biotechnology
    Land/GebietÖsterreich
    OrtGraz
    Zeitraum18/10/1718/10/17

    Fields of Expertise

    • Human- & Biotechnology
    • Information, Communication & Computing

    Treatment code (Nähere Zuordnung)

    • Application

    Kooperationen

    • BioTechMed-Graz

    Dieses zitieren