Development of a mass fingerprinting tool for automated interpretation of oligosaccharide fragmentation data

被引：100

作者：

Joshi, HJ ^{[1
]}

Harrison, MJ ^{[1
]}

Schulz, BL ^{[1
]}

Cooper, CA ^{[1
]}

Packer, NH ^{[1
]}

Karlsson, NG ^{[1
]}

机构：

[1] Proteome Syst Ltd, Sydney, NSW 2113, Australia

来源：

PROTEOMICS | 2004年 / 4卷 / 06期

关键词：

bioinformatics; database; fragmentation; mass spectrometry; oligosaccharide;

D O I：

10.1002/pmic.200300784

中图分类号：

Q5 [生物化学];

学科分类号：

071010 ; 081704 ;

摘要：

The bioinformatic tool GlycosidIQ(TM) was developed for computerized interpretation of oligosaccharide mass spectrometric fragmentation based on matching experimental data with theoretically fragmented oligosaccharides generated from the database GlycoSuiteDB(TM). This use of the software for glycofragment mass fingerprinting obviates a large part of the manual, labor intensive, and technically challenging interpretation of oligosaccharide fragmentation. Using 130 negative ion electrospray ionization-tandem mass spectrometry fragment spectra from identified oligosaccharide structures, it was shown that the GlycosidIQ scoring algorithms were able to correctly identify oligosaccharides in the great majority of cases (correct structure top ranked in 78% of the cases and an additional 17% were ranked second highest in the sample set).

引用

页码：1650 / 1664

页数：15

共 34 条

[1] Branching pattern and sequence analysis of underivatized oligosaccharides by combined MS/MS of singly and doubly charged molecular ions in negative-ion electrospray mass spectrometry [J].