High throughput lipid characterization tool for data from MS^E, TripleTOF, MALDI TOF/TOF, LC-MS, LC-MS/MS systems

SimLipid® is a high throughput lipid identification and quantification software. It can process raw data from hundreds of LC-MS and MS/MS experimental runs for LC-peak detection, peak-picking, molecular feature finding and retention time alignment. The raw data or peaklists – dataset containing processed LC-MS data – can be subjected to MS and MS/MS database search for structural elucidation, even in batch mode. A proprietary scoring mechanism distinguishes isobaric candidate structures for each MS/MS scan.