SimGlycan software 

Accurate Glycan Structure Prediction
SimGlycan predicts the structure of a glycan from the MS/MS data acquired by mass spectrometry, facilitating the study of glycosylation and post translational modification studies. SimGlycan accepts the experimental MS profiles generated by a mass spectrometer, matches them with its own database of theoretical fragmentation of over 7,000 glycans and generates a list of probable glycan structures. Each structure is scored to reflect how closely it matches your experimental data. Other biological information for the probable glycan structures such as the glycan class, reaction, pathway and enzyme are also made available for easy reference.
Glycan Mass Spectrometry Identification Tool
SimGlycan is an innovative glycan mass fingerprinting tool. SimGlycan predicts the glycan structure, scores it and generates a list of probable glycans that closely match the your experimental MS profile saving you the time and the frustration of laborious work.
Glycan Mass Fingerprinting for Studying Glycosylation and Post Translational Modifications
Glycosylation is the result of addition of a glycan to a protein and represents the most common of all the known protein post-translational modifications. Carbohydrates have been found to participate in many biological processes including embryonic development, inter and intracellular activities, coordination of immune functions, pathogens homing on their host tissues, cell division processes and protein regulations and interactions.
For facilitating such studies, SimGlycan predicts the structure of a glycan from the MS/MS data acquired by mass spectrometry. SimGlycan accepts the experimental MS profiles generated by a mass spectrometer, matches them with its own theoretical fragmentation database and generates a list of probable glycan structures. Each structure is scored based on how closely it matches your experimental data. Additional known biological information for the structures such as glycan class, reaction, pathway and enzyme is displayed, saving you from having to retrieve it from many sources.
Robust Glycan Database
The SimGlycan database is a large relational database populated with theoretical fragments of known glycan structures made up of 42 different monosaccharides. Every glycan in the database is fragmented for each of the possible thirty four reaction conditions using an intensive fragmentation algorithm. This ensures that the probable glycan fragments reported are comprehensive and accurate.
Every effort has been made while populating this database to make it extremely high quality, enabling reliable data mining for future applications of glycobiology. SimGlycan database supports 8178 glycans, 7526 biological sources, 3498 glycan compositions, 5406 classes, 196 biochemical reactions, 148 biochemical pathways, 177 enzymes and 7234 database links.
References
Domon and Costello, (1988),"A Systematic Nomenclature for carbohydrate fragmentations in FAB-MS/MS Spectra of Glycoconjugates”, Glycoconjugate 5:397-409.
David J. Harvey,"Collision-induced fragmentation of negative ions from N-linked glycans derivatized with 2-aminobenzoic acid ", Journal of Mass Spectrometry, 5: 42-653.
Wuhrer M and Deelder AM,(2006),"Matrix-assisted laser desorption/ionization in-source decay combined with tandem time-of-flight mass spectrometry of permethylated oligosaccharides: targeted characterization of specific parts of the glycan structure", Rapid Commun. Mass Spectrom. 20: 1–9.
Morelle W, SlomiannyMC, Diemer H, Schaeffer C, Dorsselaer AV and Michalski JC, (2004)," Fragmentation characteristics of permethylated oligosaccharides using a matrix-assisted laser desorption/ionization two-stage time-of-flight (TOF/TOF) tandem mass spectrometer", Rapid Commun. Mass Spectrom. 18: 2637–2649.