Electronic Resource
New York, NY
:
Wiley-Blackwell
Journal of Chemometrics
6 (1992), S. 119-133
ISSN:
0886-9383
Keywords:
Mass spectra
;
Classification
;
Structure description
;
Fragmentation
;
Ion series
;
Chemistry
;
Analytical Chemistry and Spectroscopy
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
In order to investigate correlations between the functionality of compounds and the classification of their mass spectra, low-resolution spectra of monofunctional compounds have been classified by four supervised classification methods. The new classes are characterized by structural features and the correlation between functionality and classification is explained by fragmentation rules. Systematic misclassifications show that low-resolution mass spectra alone are not suitable for reliable identification of functionality.
Additional Material:
5 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/cem.1180060304
Permalink
|
Location |
Call Number |
Expected |
Availability |
