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Sweet Substitute: A software tool for in silico fragmentation of peptide‐linked N‐glycans
Author(s) -
Clerens Stefan,
Van den Ende Wim,
Verhaert Peter,
Geenen Lieve,
Arckens Lutgarde
Publication year - 2004
Publication title -
proteomics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.26
H-Index - 167
eISSN - 1615-9861
pISSN - 1615-9853
DOI - 10.1002/pmic.200300572
Subject(s) - glycan , in silico , fragmentation (computing) , computational biology , peptide , chemistry , biology , computer science , biochemistry , glycoprotein , programming language , gene
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.