Deciphering lipid structures based on platform-independent decision rules.
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ABSTRACT:
SUBMITTER: Hartler J
PROVIDER: S-EPMC5988032 | biostudies-literature | 2017 Dec
REPOSITORIES: biostudies-literature
Publications
Deciphering lipid structures based on platform-independent decision rules.
Hartler Jürgen J Triebl Alexander A Ziegl Andreas A Trötzmüller Martin M Rechberger Gerald N GN Zeleznik Oana A OA Zierler Kathrin A KA Torta Federico F Cazenave-Gassiot Amaury A Wenk Markus R MR Fauland Alexander A Wheelock Craig E CE Armando Aaron M AM Quehenberger Oswald O Zhang Qifeng Q Wakelam Michael J O MJO Haemmerle Guenter G Spener Friedrich F Köfeler Harald C HC Thallinger Gerhard G GG
Nature methods 20171023 12
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 l ...[more]
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