Sweet Substitute:: A software tool for in silico fragmentation of peptide-linked N-glycans
Sweet Substitute:: A software tool for in silico fragmentation of peptide-linked N-glycans
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DOI：
10.1002/pmic.200300572
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发表时间：
2004-03-01
期刊：
影响因子：
3.4
通讯作者：
Arckens, L
中科院分区：
文献类型：
--
作者：
Clerens, S;Van den Ende, W;Arckens, L
描述了一种软件工具，Sweet Substitute，它有助于从胰蛋白酶消化中进行基于串联质谱（MS/MS）的糖基化表征。该算法创建了任何用户定义的n链聚糖结构的虚拟纳米电喷雾-四极杆飞行时间风格-质谱/质谱。在程序中实现了一个经验峰高建模程序。通过将理论MS/MS数据与反卷积和脱同位素的实验MS/MS数据进行比较，用户能够快速评估所提出的候选寡糖结构是否合理。
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.