Thermo Scientific™

SimGlycan™ Software

Related applications:

Industrial Mass Spectrometry

Speed the characterization of complex glycans using SimGlycan™ software from PREMIER Biosoft. SimGlycan software processes and interprets the multi-stage/sequential (MSn) data produced by Thermo Scientific™ Mass Spectrometers, a capability essential to determining glycan heterogeneity and isomeric forms. The software automatically matches experimental mass spectra against a comprehensive database and generates a scored list of candidate structures. More relevant information about the proposed structure, including the glycan class, pathway and enzyme, is provided via interactive links.

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Comprehensive Analyses
  • Supports all Thermo Scientific ion trap and Orbitrap™-based instruments performing glycan characterization
  • Processes MSn data to resolve glycan heterogeneity, branching patterns, and isobaric structures. Up to seven levels of MS fragmentation can be needed to differentiate between glycan structural isomers
  • Includes a database of over 22500 glycans to process and verify structures
  • Provides a wealth of relevant biological information for the probable glycan structure, including glycan class, reaction, pathway, and enzyme
  • Searches for glycans with various chemical derivatives used for reducing end modifications, even if the derivative is not available in the database
  • Characterizes Na, Li, Mg, K, and formate adducts, and adduct combinations such as Na + H, Li + H, etc.
  • Identifies complex glycosaminoglycan structures, even when modified with substituents such as sulfate, phosphate, and ethanolamine
  • Determines cross-ring and double glycosidic cleavages, through a combination of permethyl derivatization and MSn data
Powerful Reporting
  • Creates reports that include glycan characteristics such as ID, sequence, name, composition, mass, precursor ion m/z, class, reaction, pathway, glycan image and theoretical fragments with corresponding mass and m/z values
  • Exports images of glycan structures, fragments, and spectra as JPEG or PNG files