Sweet Substitute: a software tool for in silico fragmentation of peptide-linked N-glycans |
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Authors: | Clerens Stefan Van den Ende Wim Verhaert Peter Geenen Lieve Arckens Lutgarde |
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Affiliation: | Laboratory of Neuroplasticity and Neuroproteomics, K. U. Leuven, Leuven, Belgium. stefan.clerens@bio.kuleuven.ac.be |
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Abstract: | A software tool, Sweet Substitute, is described, which assists tandem mass spectrometry (MS/MS)-based glycosylation characterization from within a tryptic digest. The algorithm creates a virtual nanoelectrospray-quadrupole time-of-flight style-MS/MS spectrum of any user-defined N-linked glycan structure. An empirical peak height modeling routine is implemented in the program. By comparing the theoretical MS/MS data with the deconvoluted and deisotoped experimental MS/MS data, the user is able to quickly assess whether a proposed candidate oligosaccharide structure is a plausible one. |
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Keywords: | Glycosylation Mass spectrometry N-linked glycane Tandem mass spectrometry |
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