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Deciphering lipid structures based on platform-independent decision rule sets

We developed decision rule sets for Lipid Data Analyzer (LDA; http://genome.tugraz.at/lda2), enabling automated and reliable annotation of lipid species and their molecular structures in high-throughput data from chromatography-coupled tandem mass spectrometry. Platform independence was proven in va...

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Autores principales: Hartler, Jürgen, Triebl, Alexander, Ziegl, Andreas, Trötzmüller, 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 J O, Haemmerle, Guenter, Spener, Friedrich, Köfeler, Harald C, Thallinger, Gerhard G
Formato: Online Artículo Texto
Lenguaje:English
Publicado: 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5988032/
https://www.ncbi.nlm.nih.gov/pubmed/29058722
http://dx.doi.org/10.1038/nmeth.4470
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author Hartler, Jürgen
Triebl, Alexander
Ziegl, Andreas
Trötzmüller, 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 J O
Haemmerle, Guenter
Spener, Friedrich
Köfeler, Harald C
Thallinger, Gerhard G
author_facet Hartler, Jürgen
Triebl, Alexander
Ziegl, Andreas
Trötzmüller, 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 J O
Haemmerle, Guenter
Spener, Friedrich
Köfeler, Harald C
Thallinger, Gerhard G
author_sort Hartler, Jürgen
collection PubMed
description We developed decision rule sets for Lipid Data Analyzer (LDA; http://genome.tugraz.at/lda2), enabling automated and reliable annotation of lipid species and their molecular structures in high-throughput data from chromatography-coupled tandem mass spectrometry. Platform independence was proven in various mass spectrometric experiments, comprising low- and high-resolution instruments and several collision energies. We propose that this independence and the capability to identify novel lipid molecular species render current state-of-the-art lipid libraries now obsolete.
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spelling pubmed-59880322018-06-05 Deciphering lipid structures based on platform-independent decision rule sets Hartler, Jürgen Triebl, Alexander Ziegl, Andreas Trötzmüller, 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 J O Haemmerle, Guenter Spener, Friedrich Köfeler, Harald C Thallinger, Gerhard G Nat Methods Article We developed decision rule sets for Lipid Data Analyzer (LDA; http://genome.tugraz.at/lda2), enabling automated and reliable annotation of lipid species and their molecular structures in high-throughput data from chromatography-coupled tandem mass spectrometry. Platform independence was proven in various mass spectrometric experiments, comprising low- and high-resolution instruments and several collision energies. We propose that this independence and the capability to identify novel lipid molecular species render current state-of-the-art lipid libraries now obsolete. 2017-10-23 2017-12 /pmc/articles/PMC5988032/ /pubmed/29058722 http://dx.doi.org/10.1038/nmeth.4470 Text en Users may view, print, copy, and download text and data-mine the content in such documents, for the purposes of academic research, subject always to the full Conditions of use:http://www.nature.com/authors/editorial_policies/license.html#terms
spellingShingle Article
Hartler, Jürgen
Triebl, Alexander
Ziegl, Andreas
Trötzmüller, 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 J O
Haemmerle, Guenter
Spener, Friedrich
Köfeler, Harald C
Thallinger, Gerhard G
Deciphering lipid structures based on platform-independent decision rule sets
title Deciphering lipid structures based on platform-independent decision rule sets
title_full Deciphering lipid structures based on platform-independent decision rule sets
title_fullStr Deciphering lipid structures based on platform-independent decision rule sets
title_full_unstemmed Deciphering lipid structures based on platform-independent decision rule sets
title_short Deciphering lipid structures based on platform-independent decision rule sets
title_sort deciphering lipid structures based on platform-independent decision rule sets
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5988032/
https://www.ncbi.nlm.nih.gov/pubmed/29058722
http://dx.doi.org/10.1038/nmeth.4470
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