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Development of a mass fingerprinting tool for automated interpretation of oligosaccharide fragmentation data
Author(s) -
Joshi Hiren J.,
Harrison Mathew J.,
Schulz Benjamin L.,
Cooper Catherine A.,
Packer Nicolle H.,
Karlsson Niclas G.
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.200300784
Subject(s) - fragmentation (computing) , oligosaccharide , tandem mass spectrometry , electrospray ionization , chemistry , mass spectrometry , chromatography , computational biology , computer science , data mining , analytical chemistry (journal) , biology , biochemistry , programming language
The bioinformatic tool GlycosidIQ™ was developed for computerized interpretation of oligosaccharide mass spectrometric fragmentation based on matching experimental data with theoretically fragmented oligosaccharides generated from the database GlycoSuiteDB™. 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).