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Chemometric Elucidation of Methylation Analysis оf Polysaccharides

M. Ďurindová, P. Jurášek, I. Klbik, and V. Kováčik

institute of Chemistry, Slovak Academy of Sciences, CS-842 38 Bratislava


Abstract: The suitability of a chemometric approach to the evaluation of GC-MS measurements and to the interpretation of mass spectra of partially methylated alditol acetates has been examined. The products of methylation analysis of polysaccharide, prepared from water-soluble pectin, isolated from the spruce callus culture (Picea abies (L.) Karst.) walls, were interpreted manually by the expert and by way of the computer-assisted library search method. Two large commercial mass spectral libraries and library of mass spectra of partially methylated alditol acetates (PMAA), formed for the purpose to test the usefulness and reliability of small, specialized libraries, were used to compare the results of manual and computer-assisted interpretation. The identification of mass spectra of components in the examined mixture by way of large libraries failed. On the contrary, use of library PMAA led to satisfactory results, comparable with those obtained manually by an expert in the field.

Full paper in Portable Document Format: 473a198.pdf


Chemical Papers 47 (3) 198–201 (1993)

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