Qualitative Organic Analysis. Part 2. Identification of Drugs by Principal Components Analysis of Standardized TLC Data in Four Eluent Systems and of Retention Indices on SE 30

Abstract

The principal components (PC) analysis of standardized R_t values in four eluent systems [ethyl acetate/methanol/30% ammonia (85:10:15), cyclohexane/toluene/dlethylamine (65:25:10), ethyl acetate/chloroform (50:50), and acetone with the plate dipped in potassium hydroxide solution] and of gas chromatographic retention indices in SE 30 for 277 compounds provided a two-principal-components model that explains 82% of the total variance. The scores plot allowed identification of unknowns or restriction of the range of inquiry to very few candidates. Comparison of these candidates with those selected from another PC model derived from TLC data only allowed identification of the drug in all the examined cases.