Abstract
This study aimed to evaluate the selectivity of substance identification in systematic toxicological analysis (STA) through analysis of 61 drugs by high-performance liquid chromatography coupled with diode array detection (HPLC–DAD). Substance identification was based on the comparison of UV spectra and relative retention time (RRT) with reference compounds stored in the database. Discrimination power (DP) and mean list length (MLL) were used to assess the selectivity of UV spectra and RRT for the identification of unknown substances. DP and MLL were 0.9995 and 1.033, respectively, when both UV spectra and RRT were taken into account. These findings demonstrate that when combining UV spectra and RRT, HPLC–DAD constitutes a reliable and inexpensive method for substance identification in STA. Application to actual samples was demonstrated as well.
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