LipidXplorer: a software for consensual cross-platform lipidomics

LipidXplorer is the open source software that supports the quantitative characterization of complex lipidomes by interpreting large datasets of shotgun mass spectra. LipidXplorer processes spectra acquired on any type of tandem mass spectrometers; it identifies and quantifies molecular species of an...

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Published inPloS one Vol. 7; no. 1; p. e29851
Main Authors Herzog, Ronny, Schuhmann, Kai, Schwudke, Dominik, Sampaio, Julio L, Bornstein, Stefan R, Schroeder, Michael, Shevchenko, Andrej
Format Journal Article
LanguageEnglish
Published United States Public Library of Science 17.01.2012
Public Library of Science (PLoS)
Subjects
Animals
Automation
Biology
Biomarkers
Carbon
Chemistry
Computational Biology - methods
Computer programs
Computer Science
Diagnostic systems
Fatty acids
Freeware
Humans
Identification
Internal medicine
Internet
Ions
Lipids
Lipids - analysis
Lipids - chemistry
Mass spectra
Mass spectrometers
Mass spectrometry
Mass spectroscopy
Medical research
Open source software
Proteomics
Reproducibility of Results
Scientific imaging
Software
Spectrometers
Tandem Mass Spectrometry - methods
Germany
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Summary:LipidXplorer is the open source software that supports the quantitative characterization of complex lipidomes by interpreting large datasets of shotgun mass spectra. LipidXplorer processes spectra acquired on any type of tandem mass spectrometers; it identifies and quantifies molecular species of any ionizable lipid class by considering any known or assumed molecular fragmentation pathway independently of any resource of reference mass spectra. It also supports any shotgun profiling routine, from high throughput top-down screening for molecular diagnostic and biomarker discovery to the targeted absolute quantification of low abundant lipid species. Full documentation on installation and operation of LipidXplorer, including tutorial, collection of spectra interpretation scripts, FAQ and user forum are available through the wiki site at: https://wiki.mpi-cbg.de/wiki/lipidx/index.php/Main_Page.
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Conceived and designed the experiments: AS MS DS. Performed the experiments: RH KS JLS. Analyzed the data: RH KS JLS DS. Contributed reagents/materials/analysis tools: SRB. Wrote the paper: AS RH.
ISSN:1932-6203
1932-6203
DOI:10.1371/journal.pone.0029851