Please use this identifier to cite or link to this item: https://doi.org/10.1038/NMETH.4470
Title: Deciphering lipid structures based on platform-independent decision rules
Authors: Hartler, Juergen
Triebl, Alexander 
Ziegl, Andreas
Troetzmueller, Martin
Rechberger, Gerald N
Zeleznik, Oana A
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
Koefeler, Harald C
Thallinger, Gerhard G
Keywords: Science & Technology
Life Sciences & Biomedicine
Biochemical Research Methods
Biochemistry & Molecular Biology
TANDEM MASS-SPECTROMETRY
SHOTGUN LIPIDOMICS
IDENTIFICATION
DATABASE
METABOLOMICS
IONIZATION
MECHANISMS
PROTEOMICS
Issue Date: 1-Dec-2017
Publisher: NATURE PUBLISHING GROUP
Citation: Hartler, Juergen, Triebl, Alexander, Ziegl, Andreas, Troetzmueller, Martin, Rechberger, Gerald N, Zeleznik, Oana A, 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, Koefeler, Harald C, Thallinger, Gerhard G (2017-12-01). Deciphering lipid structures based on platform-independent decision rules. NATURE METHODS 14 (12) : 1171-1174. ScholarBank@NUS Repository. https://doi.org/10.1038/NMETH.4470
Abstract: © 2017 Nature America, Inc., part of Springer Nature. All rights reserved. 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.
Source Title: NATURE METHODS
URI: https://scholarbank.nus.edu.sg/handle/10635/170836
ISSN: 15487091
15487105
DOI: 10.1038/NMETH.4470
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