(2018) Hartler, Jürgen; Triebl, Alexander; Ziegl, Andreas; Trötzmüller, Martin; Rechberger, Gerald N; Zeleznik, Oana; 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 J O; Haemmerle, Guenter; Spener, Friedrich; Köfeler, Harald C; Thallinger, Gerhard G
We developed decision rule sets for Lipid Data Analyzer (LDA; http://genome.tugraz.at/lda2), enabling automated and reliable annotation of lipid species and their molecular structures in high-throughput data from chromatography-coupled tandem mass spectrometry. Platform independence was proven in various mass spectrometric experiments, comprising low- and high-resolution instruments and several collision energies. We propose that this independence and the capability to identify novel lipid molecular species render current state-of-the-art lipid libraries now obsolete.
