ISSN:
0951-4198
Keywords:
Chemistry
;
Analytical Chemistry and Spectroscopy
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Physics
Notes:
Method of multivariate statistical analysis have been applied to the mass spectra of pyrrolidin-1-yloxy derivatives. A graphical representation of the results obtained by using fragment-specific features proides a staightforward method of visualizing mass spectra/structure relationships. The explanatory power of the relatioonships can be assessed by finding linear discriminant components in the space of fragement-type features. Computer-generated spectral-type features, when used as spectral classifiers, show statistilcally comparable performance on the same set of mass spectra.
Additional Material:
4 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/rcm.1290060703