SimGlycan is a high-throughput, commercially available bioinformatics software solution developed by PREMIER Biosoft designed to automate the qualitative and quantitative analysis of glycans and glycopeptides using mass spectrometry (MS) data. It drastically minimizes the time required for tedious, manual interpretation of complex carbohydrate mass spectra. Core Capabilities & Workflows
Structural Elucidation: The software predicts glycan structures from tandem mass spectrometry (MS/MS) and multi-stage mass spectrometry ( MSncap M cap S to the n-th power
) fragmentation profiles. It accommodates both released glycans and intact glycopeptides.
High-Throughput Batch Processing: SimGlycan can process up to 10,000 MS/MS spectra per single batch, resolving large datasets generated from complex biological mixtures in mere minutes.
Liquid Chromatography Peak Processing: It features robust LC-MS peak detection, picking, and multi-sample alignment based on retention times, precursor m/z values, and observed intensities.
Isomer and Linkage Differentiation: Using multi-stage fragmentation ( MSncap M cap S to the n-th power
) alongside composition and branching scoring metrics, the software helps researchers distinguish close structural isomers and specific carbohydrate linkage patterns. Relational Database & Search Parameters
SimGlycan Software for Automated Glycan Structural Elucidation
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