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

doi:10.1038/nmeth.4470

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

Institut für Computational Biotechnologie (6570)

Publikation: Beitrag in einer Fachzeitschrift › Artikel › Begutachtung

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.

Originalsprache	englisch
Seiten (von - bis)	1171-1174
Fachzeitschrift	Nature Methods
Jahrgang	14
Ausgabenummer	12
Frühes Online-Datum	23 Okt. 2017
DOIs	https://doi.org/10.1038/nmeth.4470
Publikationsstatus	Veröffentlicht - 1 Dez. 2017

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Human- & Biotechnology
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Hartler, J., Triebl, A., Ziegl, A., Trötzmüller, M., Rechberger, G. N., Zeleznik, O. A., Zierler, K. A., Torta, F., Cazenave-Gassiot, A., Wenk, M. R., Fauland, A., Wheelock, C. E., Armando, A. M., Quehenberger, O., Zhang, Q., Wakelam, M. JO., Haemmerle, G., Spener, F., Köfeler, H. C., & Thallinger, G. G. (2017). Deciphering lipid structures based on platform-independent decision rules. Nature Methods, 14(12), 1171-1174. https://doi.org/10.1038/nmeth.4470

Hartler, J, Triebl, A, Ziegl, A, Trötzmüller, M, Rechberger, GN, Zeleznik, OA, Zierler, KA, Torta, F, Cazenave-Gassiot, A, Wenk, MR, Fauland, A, Wheelock, CE, Armando, AM, Quehenberger, O, Zhang, Q, Wakelam, MJO, Haemmerle, G, Spener, F, Köfeler, HC & Thallinger, GG 2017, 'Deciphering lipid structures based on platform-independent decision rules', Nature Methods, Jg. 14, Nr. 12, S. 1171-1174. https://doi.org/10.1038/nmeth.4470

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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.",

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AU - Zeleznik, Oana Alina

AU - Zierler, Kathrin A

AU - Torta, Federico

AU - Cazenave-Gassiot, Amaury

AU - Wenk, Markus R

AU - Fauland, Alexander

AU - Wheelock, Craig E

AU - Armando, Aaron M

AU - Quehenberger, Oswald

AU - Zhang, Qifeng

AU - Wakelam, Michael JO

AU - Haemmerle, Guenter

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AU - Thallinger, Gerhard G

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KW - Animals

KW - Chromatography, Liquid

KW - Lipids

KW - Liver

KW - Mice

KW - Molecular Structure

KW - Reproducibility of Results

KW - Sensitivity and Specificity

KW - Tandem Mass Spectrometry

KW - Journal Article

KW - Lipidomics

KW - High-throughput screening

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Deciphering lipid structures based on platform-independent decision rules

Abstract

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