A novel informatics concept for high-throughput shotgun lipidomics based on the molecular fragmentation query language

Shotgun lipidome profiling relies on direct mass spectrometric analysis of total lipid extracts from cells, tissues or organisms and is a powerful tool to elucidate the molecular composition of lipidomes. We present a novel informatics concept of the molecular fragmentation query language implemente...

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Detalles Bibliográficos
Autores principales: Herzog, Ronny, Schwudke, Dominik, Schuhmann, Kai, Sampaio, Julio L, Bornstein, Stefan R, Schroeder, Michael, Shevchenko, Andrej
Formato: Texto
Lenguaje:English
Publicado: BioMed Central 2011
Materias:
Method
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3091306/
https://www.ncbi.nlm.nih.gov/pubmed/21247462
http://dx.doi.org/10.1186/gb-2011-12-1-r8
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author Herzog, Ronny
Schwudke, Dominik
Schuhmann, Kai
Sampaio, Julio L
Bornstein, Stefan R
Schroeder, Michael
Shevchenko, Andrej
author_facet Herzog, Ronny
Schwudke, Dominik
Schuhmann, Kai
Sampaio, Julio L
Bornstein, Stefan R
Schroeder, Michael
Shevchenko, Andrej
author_sort Herzog, Ronny
collection PubMed
description Shotgun lipidome profiling relies on direct mass spectrometric analysis of total lipid extracts from cells, tissues or organisms and is a powerful tool to elucidate the molecular composition of lipidomes. We present a novel informatics concept of the molecular fragmentation query language implemented within the LipidXplorer open source software kit that supports accurate quantification of individual species of any ionizable lipid class in shotgun spectra acquired on any mass spectrometry platform.
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spelling pubmed-30913062011-05-13 A novel informatics concept for high-throughput shotgun lipidomics based on the molecular fragmentation query language Herzog, Ronny Schwudke, Dominik Schuhmann, Kai Sampaio, Julio L Bornstein, Stefan R Schroeder, Michael Shevchenko, Andrej Genome Biol Method Shotgun lipidome profiling relies on direct mass spectrometric analysis of total lipid extracts from cells, tissues or organisms and is a powerful tool to elucidate the molecular composition of lipidomes. We present a novel informatics concept of the molecular fragmentation query language implemented within the LipidXplorer open source software kit that supports accurate quantification of individual species of any ionizable lipid class in shotgun spectra acquired on any mass spectrometry platform. BioMed Central 2011 2011-01-19 /pmc/articles/PMC3091306/ /pubmed/21247462 http://dx.doi.org/10.1186/gb-2011-12-1-r8 Text en Copyright ©2011 Herzog et al.; licensee BioMed Central Ltd. http://creativecommons.org/licenses/by/2.0 This is an open access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/2.0), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
spellingShingle Method
Herzog, Ronny
Schwudke, Dominik
Schuhmann, Kai
Sampaio, Julio L
Bornstein, Stefan R
Schroeder, Michael
Shevchenko, Andrej
A novel informatics concept for high-throughput shotgun lipidomics based on the molecular fragmentation query language
title A novel informatics concept for high-throughput shotgun lipidomics based on the molecular fragmentation query language
title_full A novel informatics concept for high-throughput shotgun lipidomics based on the molecular fragmentation query language
title_fullStr A novel informatics concept for high-throughput shotgun lipidomics based on the molecular fragmentation query language
title_full_unstemmed A novel informatics concept for high-throughput shotgun lipidomics based on the molecular fragmentation query language
title_short A novel informatics concept for high-throughput shotgun lipidomics based on the molecular fragmentation query language
title_sort novel informatics concept for high-throughput shotgun lipidomics based on the molecular fragmentation query language
topic Method
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3091306/
https://www.ncbi.nlm.nih.gov/pubmed/21247462
http://dx.doi.org/10.1186/gb-2011-12-1-r8
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