LipidCreator

Generation of targeted MS assays for lipids

Description

LipidCreator is a lipid building block-based workbench and knowledge base for the automated generation of targeted lipidomics mass spectrometry assays and in-silico spectral libraries. Assay generation can be conducted with a graphical user interface (GUI) or on the command line, covering lipids of the following categories: sphingolipids (SL), glycerolipids (GL), glycerophospholipids (PL), sterols and its derivates, and fatty acids, including mediators (LM). LipidCreator can calculate masses for lipid species and their derived fragment ions, covering over 60 lipid classes and a lipid array of 1012 lipid molecules with a consensus nomenclature.

Technical Information

Publications:

PMID:32345972

Documentation and user guide:

Yes

Download / Web-service link:

Yes

Source code repository:

Yes

Programming languages:

Platforms:

Windows,

Linux

Output formats:

CSV

Input formats:

CSV

Web platform:

Desktop client:

Yes

CLI:

Yes

GUI:

Yes

License:

MIT (academic) / commercial license (commercial use)

Tasks

3) Analysis of targeted lipidomics datasets (SRM, MRM, PRM)

Workflow integration:

It can be integrated into KNIME and Galaxy workflows via command line interface

Other features:

Support user defined fragments,

Support heavy labelled isotopes,

In silico Spectral Library & Collision Energy Optimization

Spectra annotation:

Yes

Scores:

Library Probability Score via Skyline

Interactive analysis and visualization support:

Yes

Quantification:

Relative and absolute (support building calibration curves)

Peak detection and alignment:

Via Skyline

Algorithms:

LipidCreator generate in-silico spectral libraries and assays for targeted lipidomics analysis; requires skyline for the information for identification and quantification.

Transitions for different collision energies available:

Yes

Public repository transitions:

Computationally optimized transitions:

1,487

Experimentally optimized transitions:

1,487

Number of transitions in the database:

NA, on-fly/on-demand transition generation

Covered lipid sub classes:

5 out of 8 LIPID MAPS categories (PL, GL, SP, ST, FA)

Strategies: