SimGlycan

SimGlycan is a tool dedicated scientists that are working on projects involving the structure of glycans from the MS/MS and other multi-stage mass spectrometry data. More precisely, the program provides you with various biological information, such as glycan class, reaction or enzyme and enables high throughput experimentation for glycan identification.

The modus operandi of the tool is to match the data from multi-stage, sequential mass spectrometry or experimental MS/MS with its own database of theoretical fragments. Afterwards, the app generates a list of probable candidate structures that are each scored to reflect how closely it matches your data. The ranking is awarded based on the proximity score that represents the numerical value indicating how closely the experimental properties, meaning branching pattern and composition, of the glycan is to the one existing in the database.

In addition to the structural information, the program provides you with other relevant information, such as the probable molecular structure of the glycan class, pathway, enzyme and reaction. You can extract details about the Protein ID, name, source, class, peptide sequence, classification, mass, so on and so forth. You can employ this biological information for easy reference in case of a structural elucidation of glycans.