Objectives: To establish the structural confirmation methods of three suspected new psychoactive substances (NPSs), and explore a more general qualitative testing method.
Methods: Infrared absorption spectroscopy (IR), gas chromatography-mass spectrometry (GC-MS), 1H-nuclear magnetic resonance spectroscopy (1H-NMR), 13C-nuclear magnetic resonance spectroscopy (13C-NMR), 19F-nuclear magnetic resonance spectroscopy (19F-NMR) and other techniques were used to identify the composition and structure of 5 samples containing suspected NPS submitted by public security bureaus.
Results: NPSs were found in the above 5 samples, and 3 were confirmed as NPS included in the newly listed controlled substances on July 1, 2024, namely 2-(methylamino)-2-(2-methylphenyl)cyclohexan-1-one (2-MDCK), 2-(ethylamino)-2-(2-fluorophenyl)cyclohexan-l-one (2-FXE), 1-(3,4-methylenedioxyphenyl)-2-(dimethylamino)pentan-1-one (dipentylone), respectively. The first two substances were phencyclidine NPS, and the third substance was synthetic cathinone NPS.
Conclusions: This study systematically summarizes the distinguishing features of the infrared absorption spectrometry, nuclear magnetic resonance spectroscopy and mass spectrometry of three NPSs, which can provide a reference for the qualitative identification of unknown substances.
目的: 建立3种疑似新精神活性物质（new psychoactive substance，NPS）的结构确证方法，探索一种较为通用的定性检验方法。方法: 利用红外吸收光谱、气相色谱-质谱（gas chromatography-mass spectrometry，GC-MS）、核磁共振氢谱（1H-nuclear magnetic resonance spectroscopy，1H-NMR）、核磁共振碳谱（13C-nuclear magnetic resonance spectroscopy，13C-NMR）、核磁共振氟谱（19F-nuclear magnetic resonance spectroscopy，19F-NMR）等技术对公安机关送检的5份疑似含有NPS的检材进行成分鉴定及结构确证。结果: 送检的5份检材中均检出NPS，共有3种于2024年7月1日被列管的NPS，分别为甲基胺酮（又称2-MDCK）、2-乙氨基-2-（2-氟苯基）环己酮（又称2-FXE）、1-［3，4-（亚甲二氧基）苯基］-2-二甲氨基-1-戊酮（又称dipentylone），前两者属于苯环己哌啶类NPS，第三种属于合成卡西酮类NPS。结论: 本研究较为系统地介绍了3种NPS的红外吸收光谱、核磁共振波谱和质谱等表征手段的区分特征，可为未知毒品的定性鉴定提供参考。.
Keywords: forensic medicine; gas chromatography-mass spectrometry; infrared absorption spectrometry; new psychoactive substance (NPS); nuclear magnetic resonance (NMR) spectroscopy; phencyclidines; structural analysis; synthetic cathinones; toxicological analysis.