LipidCreator
LipidCreator is a powerful tool that enables researchers to generate targeted lipidomics mass spectrometry assays and in silico spectral libraries with ease. This workbench and knowledge base uses a semi-automatic approach to create high-quality lipidomics data.
Key Features:
- Support for multiple lipid categories : LipidCreator currently supports sphingolipids (SL), glycerolipids (GL), glycerophospholipids (PL), cholesterol and its derivatives (Ch, ChE), as well as fatty acyl mediators (LM).
- SRM/PRM assay generation : The tool can calculate masses and transitions for both unlabeled and labeled lipid species and their derived fragment ions, covering over 60 lipid classes and a lipid array of 1012 lipid molecules.
- Lipid nomenclature and translation : LipidCreator uses the consensus nomenclature recommended by the lipidomics standards initiative and provides a lipid nomenclature translator that supports LIPID MAPS names.
- Visual inspection : The tool includes a visual inspection level for lipid and fragment structures, allowing researchers to verify their results.
- In silico spectral library and collision energy optimization : LipidCreator can determine the relative intensities of fragment ions at different defined collision energies (CE), enabling the creation of high-quality in silico spectral libraries.
Integration with Skyline:
LipidCreator is fully integrable into Skyline, a popular software for mass spectrometry data analysis. This integration enables vendor-independent assay development and optimization, data visualization, peak integration and identification, as well as quality control of MS and MS/MS lipidomics data.
User-Friendly Interface:
LipidCreator can be used with a user-friendly graphical user interface (GUI) or via the command line interface (CLI), making it accessible to researchers with varying levels of technical expertise.
Performance:
The tool is highly efficient, computing precursor-product ion pairs at a rate of 60,000 pairs per second on a standard notebook. It can also be integrated into KNIME and Galaxy workflows as a native node via its command line interface on Linux and Windows.
Part of the LIFS webportal Toolbox.
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