COMPUTER-ASSISTED INTERPRETATION OF H-1-NMR SPECTRA IN THE ANALYSIS OF THE STRUCTURE OF OLIGOSACCHARIDES

A computer program that can be implemented on IBM compatible microcomputers has been used to interpret the 1H-n.m.r. spectra of a series of mucin-derived alditols. The program compares the chemical shifts of resonances in the spectra of unknown oligosaccharides with those in a standard library constructed from data in the literature. The program then compiles the identified sequences into possible structures, which, together with a second component of the program from which the individual assignments of chemical shifts can be made, facilitates ready access to the literature data for final confirmation of the structures. © 1990.