ISSN:
0030-493X
Keywords:
Chemistry
;
Analytical Chemistry and Spectroscopy
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
A novel, computer aided approach to the interpretation of mass spectra is documented by its application to a series of recently isolated marine sterols. The method consists of construction of biosynthetically plausible candidate structures, prediction of their major mass spectral fragmentation paths using class-specific rules derived from a training set of known compounds, and a system of ranking candidate structures based on a comparison of the predicted and observed spectra.
Additional Material:
3 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/oms.1210150709
Permalink