Computer-assisted interpretation of 1H-n.m.r. spectra in the analysis of the structure of oligosaccharides
| Autor: | Elizabeth F. Hounsell, Dennis J. Wright |
|---|---|
| Rok vydání: | 1990 |
| Předmět: |
Magnetic Resonance Spectroscopy
Computer program Molecular Structure Chemistry Chemical shift Computer aid Organic Chemistry Molecular Sequence Data Structure (category theory) Oligosaccharides General Medicine Biochemistry Spectral line Analytical Chemistry Interpretation (model theory) Carbohydrate Sequence IBM PC compatible Component (UML) Algorithm Software |
| Zdroj: | Carbohydrate research. 205 |
| ISSN: | 0008-6215 |
| Popis: | A computer program that can be implemented on IBM compatible microcomputers has been used to interpret the 1 H-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. |
| Databáze: | OpenAIRE |
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