Theoretical study of deprotonated glucopyranosyl disaccharide fragmentation.
J Mass Spectrom
; 34(8): 856-71, 1999 Aug.
Article
em En
| MEDLINE
| ID: mdl-10423567
ABSTRACT
Molecular orbital calculations were used to investigate the fragmentation of deprotonated glucopyranosyl disaccharides. Based on data from collisional activation and isotopic labeling experiments, fragmentation mechanisms are proposed, with calculated transition states being used to study the energetics of fragmentation. The calculations suggest that deprotonation at the C(2) hydroxyl of the non-reducing ring, following ring opening, may be important for disaccharide fragmentation. It is also shown that the stereochemistry at the 2-position of the non-reducing ring may have a significant effect on disaccharide fragmentation, particularly with regard to determination of the anomeric configuration.
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Base de dados:
MEDLINE
Assunto principal:
Dissacarídeos
/
Glucose
/
Glucosídeos
Idioma:
En
Revista:
J Mass Spectrom
Ano de publicação:
1999
Tipo de documento:
Article
País de afiliação:
Austrália