LIPID MAPS® Software

MS Analysis
Structure Drawing Tools
Statistical Analysis Tools
Nomenclature Tools
Lipid Analysis Software
Lipidomics Tools Guide

Access software developed by the LIPID MAPS® Consortium here.

BioPAN

BioPAN perform a pathway analysis from lipidomics dataset. In this analysis, it is possible to explore systematic changes in lipid pathways at different levels: lipid subclass and lipid molecular species. Those pathways will be highlighted and changes in gene activity will also be predicted.

References
BioPAN: a web-based tool to explore mammalian lipidome metabolic pathways on LIPID MAPS, F1000Research, 2021, DOI: 10.12688/f1000research.28022.1
Using lipidomics analysis to determine signalling and metabolic changes in cells Current Opinion, Biotechnology, 2017, DOI: 10.1016/j.copbio.2016.10.003
LipidLynxX

LipidLynxX provides the possibility to convert, cross-match, and link various lipid annotations to the tools supporting lipid ontology, pathway, and network analysis aiming systems-wide integration and functional annotation of lipidome dynamics in health and disease.

LipidFinder

LipidFinder 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. An algorithm is included that optimizes analysis based on users' own data, and outputs are screened against online databases and categorized into LIPID MAPS® classes.

References
LipidFinder on LIPID MAPS: peak filtering, MS searching and statistical analysis for lipidomics, Bioinformatics, 2019, DOI: 10.1093/bioinformatics/bty679
LipidFinder 2.0: advanced informatics pipeline for lipidomics discovery applications, Bioinformatics, 2020, DOI: 10.1093/bioinformatics/btaa856
Search MS retention time data

This tool enables searching chromatography metadata in NMDR LC-MS studies to view retention time data, chromatography conditions and instrumentation. One can view data for one particular metabolite or compare data for a pair of metabolites.

LipidCalculator

Lipid Calculator is an iPhone app that can calculate the accurate mono-isotopic molecular weight of tens of thousands lipid molecular species as well as positive and negative molecular ions and several molecular ion adducts.

LIPID MAPS® Tools Package

The LIPID MAPS® Tools Package uses command line Perl scripts to generate SD files containing structure and ontological data for various lipid categories. The current version supports structure generation for Fatty acyls (FA), Glycerolipids (GL), Glycerophospholipids (GP), Cardiolipins (CL), Sphingolipids (SP) and Sterols (ST). Please see our documentation for specific main and subclasses.

FAStrGen.pl GLStrGen.pl GPStrGen.pl CLStrGen.pl SPStrGen.pl STStrGen.pl
Reference
Template-based combinatorial enumeration of virtual compound libraries for lipids., Journal of Cheminformatics, 2012, DOI: 10.1186/1758-2946-4-23 , PMID: 23006594
LIPID MAPS® Ontology Tools Package

The LIPID MAPS® Ontology Tools Package is a command line Perl script to generate ontology data using structure data in SD file(s).

LIPID MAPS® Mass Spectrometry Combinatorial Expansion Package

The LIPID MAPS® Mass Spectrometry Combinatorial Expansion Package includes a set of command line PHP scripts to generate tabular datasets contining species name, m/z and molecular formula for some of the main lipid categories. User-defined options include a range of chain-lengths and a choice of poitive and negative ion-types. The generated MS datasets may then be used as databases or references to aid in identification and assignment of ions in mass spectrometry experiments of lipids. The current version supports Glycerolipids (GL), Glycerophospholipids (GP), Cardiolipins (CL) and Sphingolipids (SP).

  • Download Mass Spectrometry Combinatorial Expansion package and documentation: Details