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: Beitrag in einer FachzeitschriftArtikelForschungBegutachtung

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.

Originalspracheenglisch
Seiten (von - bis)1171-1174
FachzeitschriftNature methods
Jahrgang14
Ausgabenummer12
Frühes Online-Datum23 Okt 2017
DOIs
PublikationsstatusVeröffentlicht - 1 Dez 2017

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Lipids
Mass spectrometry
Software reliability
Tandem Mass Spectrometry
Chromatography
Molecular Structure
Molecular structure
Mass Spectrometry
Software
Genes
Throughput
Genome

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    Hartler, J., Triebl, A., Ziegl, A., Trötzmüller, M., Rechberger, G. N., Zeleznik, O. A., ... 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

    Deciphering lipid structures based on platform-independent decision rules. / Hartler, Jürgen; Triebl, Alexander; Ziegl, Andreas; Trötzmüller, Martin; Rechberger, Gerald N; Zeleznik, Oana Alina; 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 JO; Haemmerle, Guenter; Spener, Friedrich; Köfeler, Harald C; Thallinger, Gerhard G.

    in: Nature methods, Jahrgang 14, Nr. 12, 01.12.2017, S. 1171-1174.

    Publikation: Beitrag in einer FachzeitschriftArtikelForschungBegutachtung

    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
    Hartler J, Triebl A, Ziegl A, Trötzmüller M, Rechberger GN, Zeleznik OA et al. Deciphering lipid structures based on platform-independent decision rules. Nature methods. 2017 Dez 1;14(12):1171-1174. https://doi.org/10.1038/nmeth.4470
    Hartler, Jürgen ; Triebl, Alexander ; Ziegl, Andreas ; Trötzmüller, Martin ; Rechberger, Gerald N ; Zeleznik, Oana Alina ; 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 JO ; Haemmerle, Guenter ; Spener, Friedrich ; Köfeler, Harald C ; Thallinger, Gerhard G. / Deciphering lipid structures based on platform-independent decision rules. in: Nature methods. 2017 ; Jahrgang 14, Nr. 12. S. 1171-1174.
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    AU - Triebl, Alexander

    AU - Ziegl, Andreas

    AU - Trötzmüller, Martin

    AU - Rechberger, Gerald N

    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

    AU - Spener, Friedrich

    AU - Köfeler, Harald C

    AU - Thallinger, Gerhard G

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    AB - 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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    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

    KW - Mass spectrometry

    KW - Software

    KW - Lipid fragmentation

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