STAT: A saccharide topology analysis tool used in combination with tandem mass spectrometry
STAT: A saccharide topology analysis tool used in combination with tandem mass spectrometry
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DOI：
10.1021/ac000096f
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发表时间：
2000-06-01
影响因子：
7.4
通讯作者：
Leary, JA
中科院分区：
文献类型：
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作者：
Gaucher, SP;Morrow, J;Leary, JA
串联质谱学(MSN)有可能在糖链分析中提供大量的结构信息。本文介绍的糖拓扑分析工具(STAT)是一个基于Web的计算程序，可以从一组MSN谱中快速提取低聚糖的序列信息，最多可达10个残基。在输入了诸如前体离子质量、可能的单糖部分、电荷载体和产物离子质量之类的信息之后，生成所有可能的连接性并对照MSN数据对其进行评估，基于其是正确序列的可能性对可能结构的列表给予评级，给出实例来演示将STAT应用于由细菌脂低聚糖和N-连接的多糖生成的MSN数据的可行性，STAT的主要优点是快速生成可能结构的列表并且评级系统将更可能的结构推到列表的顶部，将STAT产生的数据与多糖的分支模式数据结合起来，可以消除除少数结构以外的所有结构。这些剩余的结构可以用来指导进一步的结构分析。
Sequential stages of mass spectrometry (MSn) have the potential to provide a great deal of structural information in glycan analysis. The saccharide topology analysis tool (STAT) presented here is a Web-based computational program that can quickly extract sequence information from a set of MSn spectra for an oligosaccharide of up to 10 residues. After information such as precursor ion mass, possible monosaccharide moieties, charge carrier, and product ion mass has been input, all possible connectivities are generated and evaluated against the MSn data, The list of possible structures is given a rating based on the likelihood that it is the correct sequence, Examples are given to demonstrate the feasibility of applying STAT to MSn data generated from bacterial lipooligosaccharides and an N-linked glycan, The major advantage of STAT is that the list of possible structures is generated quickly and the rating system pushes the more likely structures to the top of the list, Combining the data generated by STAT with data on the branching patterns of the glycan serves to eliminate all but a handful of structures. These remaining structures could then be used to guide further structural analysis.