PREMIER Biosoft software

Mass Spectrometry

Model SimGlycan - High Throughput Glycan & Glycopeptide Identification Tool using Mass Spectrometry Data

SimGlycan predicts structure of glycans from the MS/MS and multi-stage mass spectrometry (MSn) data. Furthermore, comprehensive support for resolving glycopeptides using LC-MS/MS glycopeptide data facilitates glycosylation studies. SimGlycan accepts experimental MS/MS data, matches them with its own database and finally generate a list of ranked candidate structures. Rank of each candidate indicates the proximity between the candidate structure and the experimental glycan. The rank is calculated based on a robust scoring mechanism that considers structure specific diagnostic ions observed in the experimental MS/MS spectra as well as the intensity of those observed peaks. SimGlycan also supports multistage mass spectrometry (MSn) data analysis for isomers differentiation.

Model SimLipid - High Throughput Lipid Identification and Quantification Software

High throughput lipid characterization tool for data from MSE, 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.