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LipidXplorer: Software for Quantitative Shotgun Lipidomics Compatible with Multiple Mass Spectrometry Platforms
Ronny Herzog1,2, Dominik Schwudke3, Andrej Shevchenko1
1MPI of Molecular Cell Biology and Genetics, Dresden, Germany.
Current Protocols in Bioinformatics
|August 14, 2015
Summary
LipidXplorer is a versatile open-source software for identifying and quantifying lipids using mass spectrometry. It enables user-defined lipid identification without reference spectra, supporting diverse lipidomics research.
Area of Science:
- Biochemistry
- Computational Biology
- Mass Spectrometry
Background:
- Lipidomics research requires robust tools for identifying and quantifying diverse lipid molecular species.
- Existing platforms often rely on spectral databases, limiting flexibility.
- Shotgun lipidomics generates complex data requiring sophisticated analysis.
Purpose of the Study:
- To introduce LipidXplorer, an open-source software kit for comprehensive lipid identification and quantification.
- To provide a flexible platform for analyzing lipidomics data from various mass spectrometry techniques.
- To enable user-defined lipid identification routines independent of spectral databases.
Main Methods:
- Utilizes a declarative Molecular Fragmentation Query Language (MFQL) for user-defined lipid identification.
- Supports shotgun lipidomics experiments on any mass spectrometry platform.
- Incorporates batch processing capabilities for high-resolution mass mapping, precursor and neutral-loss scanning, and data-dependent MS/MS.
Main Results:
- LipidXplorer facilitates the identification and quantification of any lipid class.
- The software operates without a database of reference spectra.
- It is applicable to diverse lipidomics applications in cell biology and molecular medicine.
Conclusions:
- LipidXplorer offers a flexible, open-source solution for advanced lipidomics analysis.
- Its user-defined approach enhances the scope and adaptability of lipid identification.
- The software supports broad applications in biological and medical research.
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