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LipidXplorer

Lipid identification from shotgun MS/MS datasets

Description

LipidXplorer is a tool that supports accurate identification of any class of lipids in shotgun spectra acquired on any (high resolution) mass spectrometry platform. It uses the Molecular Fragmentation Query Language (MFQL) to define the elemental composition of molecular ions and fragments generated by MS/MS such that no database is required for the identification. LipidXplorer could search for unknown, isotopically labelled or modified lipids and also supports high-throughput lipidomics screens.

Technical Information

Publications:
DOI:10.5281/zenodo.3570469
Programming languages:
Python
Platforms:
Windows, linux
Input formats:
MzML, mzXML, .raw(Thermo)
Output formats:
Excel, mzTab
Interface:
Web platform, GUI, CLI, Desktop
Licence:
GPL

Sections

Section 4 — Lipid Identification (Untargeted)
Section 4.2 — Data Dependent Acquisition (DDA)