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Chrombox D
Serves for the automated lipidomics data analysis of both shotgun and liquid chromatography-mass spectrometry (LC-MS) data. Chrombox D consists of a flexible lipid generator that generates all possible molecular formulas for lipid species based on editable lists of fatty acids. This software realizes the following steps: (1) generation of a library of molecular formulas for lipid species that may be present in the analyzed sample; (2) generation of a theoretical mass spectral library of compounds; or (3) import and pretreatment of experimental data.
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.
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