Article

LipidXplorer: A Software for Consensual Cross-Platform Lipidomics

Ronny HerzogMax Planck Institute of Molecular Cell Biology and Genetics, Dresden, GermanyKai SchuhmannDepartment of Internal Medicine III, Carl Gustav Carus Clinics of Dresden University of Technology, Dresden, GermanyDominik SchwudkeMax Planck Institute of Molecular Cell Biology and Genetics, Dresden, GermanyJúlio L. SampaioMax Planck Institute of Molecular Cell Biology and Genetics, Dresden, GermanyStefan R. BornsteinDepartment of Internal Medicine III, Carl Gustav Carus Clinics of Dresden University of Technology, Dresden, GermanyMichael SchroederBiotechnology Centre, Dresden University of Technology, Dresden, GermanyAndrej ShevchenkoMax Planck Institute of Molecular Cell Biology and Genetics, Dresden, Germany

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Abstract

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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DOI: 10.1371/journal.pone.0029851

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