GlycoFragment and GlycoSearchMS: web tools to support the interpretation of mass spectra of complex carbohydrates
GlycoFragment and GlycoSearchMS: web tools to support the interpretation of mass spectra of complex carbohydrates
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DOI：
10.1093/nar/gkh392
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发表时间：
2004-07-01
影响因子：
14.9
通讯作者：
von der Lieth, CW
中科院分区：
文献类型：
--
作者：
Lohmann, KK;von der Lieth, CW
近年来，质谱法已成为高灵敏度聚糖鉴定的首选方法。目前，只有少数工具，协助质谱解释。网络应用程序GlycoFragment（www.dkfz.de/spec/projekte/fragments/）计算复杂碳水化合物的所有理论上可能的片段，旨在支持质谱的解释。GlycoSearchMS（www.dkfz.de/spec/glycosciences.de/sweetdb/ms/）将测量质谱的每个峰与SweetDB数据库中包含的所有结构的计算片段进行比较。最佳匹配的光谱和相关结构以相似性递减的顺序显示。由于这两种算法的工作效率非常高，它们非常适合用于自动识别一系列复杂的碳水化合物的质谱。
In recent years, mass spectrometry has become the method of choice for high-sensitivity glycan identification. Currently, only a few tools assisting mass spectra interpretation are available. The web application GlycoFragment (www.dkfz.de/spec/projekte/fragments/) calculates all theoretically possible fragments of complex carbohydrates and aims to support the interpretation of mass spectra. GlycoSearchMS (www.dkfz.de/spec/glycosciences.de/sweetdb/ms/) compares each peak of a measured mass spectrum with the calculated fragments of all structures contained in the SweetDB database. The best-matching spectra and the associated structures are displayed in order of decreasing similarity. Since both algorithms work very efficiently, they are well suited to be used for automatic identification of series of mass spectra of complex carbohydrates.