Sweet Substitute: a software tool for in silico fragmentation of peptide-linked N-glycans.
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.
Clerens
Stefan
S
Laboratory of Neuroplasticity and Neuroproteomics, K. U. Leuven, Leuven, Belgium. stefan.clerens@bio.kuleuven.ac.be
Van den Ende
Wim
W
Verhaert
Peter
P
Geenen
Lieve
L
Arckens
Lutgarde
L
D000465:Algorithms; D006031:Glycosylation; D007477:Ions; D013058:Mass Spectrometry / Q000379:methods*; D009844:Oligosaccharides / Q000737:chemistry; D010455:Peptides / Q000737:chemistry*; D011134:Polysaccharides / Q000737:chemistry*; D017434:Protein Structure, Tertiary; D012984:Software; D013997:Time Factors; D014357:Trypsin / Q000737:chemistry; D005723:gamma-Glutamyltransferase / Q000737:chemistry
D007477:Ions; D009844:Oligosaccharides; D010455:Peptides; D011134:Polysaccharides; D005723:gamma-Glutamyltransferase; D014357:Trypsin