Problems of Forensic Sciences 2000 Vol. 43 (XLIII) 62-69
COMPARISON BETWEEN AUTOMATED KNOWLEDGE-BASED SYSTEMS IDENTIFYING AND CLASSIFYING AMPHETAMINE ANALOGUES USING VAPOR-PHASE FTIR SPECTRA AND MASS SPECTRA
Inge DIRINCK, Mirela PRAISLER, Jan F. VAN BOCXLAER, Andreas DE LEENHEER, D. Luc MASSART
Laboratory of Toxicology, Faculty of Pharmaceutical Sciences, University of Ghent, Ghent, Belgium
Streszczenie
The feasibility of identifying and classifying novel amphetamine analogues according to the substitution pattern of the phenyl ring was explored by principal component analysis (PCA) run for appropriately feature weighed vapor-phase infrared spectra and mass spectra. The appropriately pre-processed FTIR spectral features enabled the automated discrimination and recognition of the subclasses of phenyl nonsubstituted (stimulant) and 3,4-methylenedioxy- (hallucinogenic) amphetamines within higher, statistically determined, reliability limits.
Słowa kluczowe
Amphetamines; FTIR spectra; Mass spectra.