Deciphering lipid structures based on platform-independent decision rules

Jürgen Hartler; Alexander Triebl; Andreas Ziegl; Martin Trötzmüller; Gerald N. Rechberger; Oana A. 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 J.O. 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 A. 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 J.O. Wakelam, Guenter Haemmerle, Friedrich Spener, Harald C. Köfeler^*, Gerhard G. Thallinger

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

130 Citations (Scopus)

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.

Original language	English
Pages (from-to)	1171-1174
Number of pages	4
Journal	Nature Methods
Volume	14
Issue number	12
DOIs	https://doi.org/10.1038/nmeth.4470
Publication status	Published - 1 Dec 2017
Externally published	Yes

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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. J. O., 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

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title = "Deciphering lipid structures based on platform-independent decision rules",

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.",

author = "J{\"u}rgen Hartler and Alexander Triebl and Andreas Ziegl and Martin Tr{\"o}tzm{\"u}ller and Rechberger, \{Gerald N.\} and Zeleznik, \{Oana A.\} and Zierler, \{Kathrin A.\} and Federico Torta and Amaury Cazenave-Gassiot and Wenk, \{Markus R.\} and Alexander Fauland and Wheelock, \{Craig E.\} and Armando, \{Aaron M.\} and Oswald Quehenberger and Qifeng Zhang and Wakelam, \{Michael J.O.\} and Guenter Haemmerle and Friedrich Spener and K{\"o}feler, \{Harald C.\} and Thallinger, \{Gerhard G.\}",

year = "2017",

month = dec,

day = "1",

doi = "10.1038/nmeth.4470",

language = "English",

volume = "14",

pages = "1171--1174",

journal = "Nature Methods",

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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, vol. 14, no. 12, pp. 1171-1174. https://doi.org/10.1038/nmeth.4470

TY - JOUR

T1 - Deciphering lipid structures based on platform-independent decision rules

AU - Hartler, Jürgen

AU - Triebl, Alexander

AU - Ziegl, Andreas

AU - Trötzmüller, Martin

AU - Rechberger, Gerald N.

AU - Zeleznik, Oana A.

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 J.O.

AU - Haemmerle, Guenter

AU - Spener, Friedrich

AU - Köfeler, Harald C.

AU - Thallinger, Gerhard G.

PY - 2017/12/1

Y1 - 2017/12/1

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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.

UR - https://www.scopus.com/pages/publications/85034778000

U2 - 10.1038/nmeth.4470

DO - 10.1038/nmeth.4470

M3 - Article

C2 - 29058722

AN - SCOPUS:85034778000

SN - 1548-7091

VL - 14

SP - 1171

EP - 1174

JO - Nature Methods

JF - Nature Methods

IS - 12

ER -

Deciphering lipid structures based on platform-independent decision rules

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