Synthetic cathinones are a type of new psychoactive substances (NPS) that have been seriously abused. Owing to the rapid variation in their structures, the absence of reference standards poses a challenge in quantitative investigations. In this study, a 1H quantitative nuclear magnetic resonance (1H qNMR) method was established using maleic acid as the internal standard and the shared signal (i.e., the methylidyne hydrogen) on the parent synthetic cathinones structure as the quantitative peak. Taking 3-methoxy-2-(methylamino)-1-(4-methylphenyl)propan-1-one (mexedrone) as an example, this study optimized the acquisition parameters and conducted method validation, including an evaluation of the specificity, linearity, accuracy, precision, and robustness. Using this 1H qNMR method, the contents of mexedrone and its analogues, including 1-(3-chlorophenyl)-2-(ethylamino)-propan-1-one (3-CEC), 4-chloro-α-pyrroli-dinopropiophenone (4-Cl-α-PVP), 1-(3,4-methylenedioxy-phenyl)-2-propylamino-propan-1-one (propylone), and methcathinone, were obtained. The obtained results showed that the method was accurate, rapid, versatile, and can be used to address the qualitative and quantitative issues related to similar substances.
Keywords: Quantitative nuclear magnetic resonance; assay; quantitation; structure identification; synthetic cathinones.