Finds and integrates peaks in a mass spectrum, matches the peaks with a user-supplied list of expected lipids, corrects for overlap in their isotopic patterns, and quantifies the identified lipid species according to internal standards.
Helps to discover new lipid molecular species. LipidFinder is a computational workflow which searches three independent online databases to obtain putative identification of lipids, and assigns them to a class based on the LIPID MAPS system. The software 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.
A high throughput lipid identification tool. SimLipid® accepts experimental MS and MS/MS data, enables lipids profiling by searching precursors against the known lipid structures and elucidates an unknown structure by matching experimental product ions against theoretical fragments of lipids from the database. It also supports LC-MS and LC-MS/ MS high throughput data processing methods providing a platform for further qualitative and quantitative data analysis.