Application of microcomputers to the interpretation of high-resolution nuclear magnetic resonance spectra of asparagine-linked oligosaccharides: Evaluation of high-mannose structures

• Published in: Analytical biochemistry Vol. 146; no. 1; pp. 13 - 22
• Main Authors: Anderson, Darrell R., Grimes, William J.
• Format: Journal Article
• Language: English
• Published: San Diego, CA Elsevier Inc 01.04.1985; Elsevier
• Subjects: Applied sciences; Asparagine - analysis; Chemical Phenomena; Chemistry; Computers; Exact sciences and technology; glycopeptides; glycoproteins; high-resolution NMR; Magnetic Resonance Spectroscopy; Mannose - analysis; Microcomputers; Oligosaccharides; Other techniques and industries; Software; microcomputers; glycopeptides; glycoproteins; high-resolution NMR; oligosaccharides
• ISSN: 0003-2697; 1096-0309
• DOI: 10.1016/0003-2697(85)90388-4

A microcomputer program for determining primary oligosaccharide structures by high-resolution nuclear magnetic resonance is reported. The program uses the data base obtained from spectra of model compounds reported in the literature. A number of high-mannose-type asparagine-linked glycopeptide spectra containing tabulated chemical shifts measured at room temperature were tested to determine the ability of the computer to correctly assign carbohydrate units into a complete structure. High-mannose structures ranging from five to nine oligomannosyl units were completely and unambiguously analyzed to give complete structural assignments. The computer program will also resolve glycopeptide mixtures. The method provides investigators with a useful tool for accurately evaluating nuclear magnetic resonance spectra and should greatly facilitate the complicated and time-consuming evaluation of microheterogeneity in samples commonly isolated from biological systems.