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

TY - JOUR

T1 - Development of a mass fingerprinting tool for automated interpretation of oligosaccharide fragmentation data

AU - Joshi, Hiren J.

AU - Harrison, Mathew J.

AU - Schulz, Benjamin L.

AU - Cooper, Catherine A.

AU - Packer, Nicolle H.

AU - Karlsson, Niclas G.

PY - 2004/6/1

Y1 - 2004/6/1

N2 - The bioinformatic tool GlycosidlQ™ 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 GlycosidlQ 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).

AB - The bioinformatic tool GlycosidlQ™ 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 GlycosidlQ 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).

KW - Bioinformatics

KW - Database

KW - Fragmentation

KW - Mass spectrometry

KW - Oligosaccharide

UR - http://www.scopus.com/inward/record.url?scp=2942568109&partnerID=8YFLogxK

U2 - 10.1002/pmic.200300784

DO - 10.1002/pmic.200300784

M3 - Journal article

C2 - 15174134

AN - SCOPUS:2942568109

SN - 1615-9853

VL - 4

SP - 1650

EP - 1664

JO - Proteomics

JF - Proteomics

IS - 6

ER -