LipidFinder: A computational workflow for discovery of new lipid molecular species

LipidFinder is a Python workflow that quickly distinguishes and quantifies lipid-like features from contaminants, adducts and noise in high resolution liquid chromatography/mass spectrometry (LC/MS) datasets that have been pre-aligned using SIEVE (ThermoFisher) or XCMS. The pre-aligned dataset is passed through multiple catergorisation and clean-up stages, each governed by tuneable parameters stored in csv files. An output file after each stage allows the user to follow the process in detail. The final output of the workflow is a much smaller, pertinent list of lipid-like features that have been putatively identified to facilitate further targeted lipidomics analysis. The constituent programs are controlled through a simple text based, command line interface.

For questions or suggestions regarding LipidFinder please contact us at lipidfinder@cardiff.ac.uk