Gonçalves João L, Alves Vera L, Aguiar Joselin, Caldeira Maria J, Teixeira Helena M, Câmara José S
CQM-Centro de Química da Madeira, Universidade da Madeira, Campus Universitário da Penteada, 9020-105 Funchal, Portugal.
Laboratório de Polícia Científica da Polícia Judiciária, Novo edifício-sede da Polícia Judiciária, Rua Gomes Freire, 1169-007 Lisboa, Portugal.
Metabolites. 2021 Feb 27;11(3):144. doi: 10.3390/metabo11030144.
The innovation of the new psychoactive substances (NPS) market requires the rapid identification of new substances that can be a risk to public health, in order to reduce the damage from their use. Twelve seized products suspected to contain illicit substances were analyzed by attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR), gas chromatography coupled to mass spectrometry (GC-MS), and nuclear magnetic resonance spectroscopy (NMR). Synthetic cathinones (SCat) were found in all products, either as a single component or in mixtures. Infrared spectra of all products were consistent with the molecular structure of SCat, showing an intense absorption band at 1700-1674 cm, corresponding to the carbonyl stretching, a medium/strong peak at 1605-1580 cm, indicating stretching vibrations in the aromatic ring (C=C) and bands with relative low intensity at frequencies near 2700-2400 cm, corresponding to an amine salt. It was possible to identify a total of eight cathinone derivatives by GC-MS and NMR analysis: 4'-methyl-α-pyrrolidinohexanophenone (MPHP), α-pyrrolidinohexanophenone (α-PHP), 3-fluoromethcathinone (3-FMC), methedrone, methylone, buphedrone, -ethylcathinone, and pentedrone. Among the adulterants found in these samples, caffeine was the most frequently detected substance, followed by ethylphenidate. These results highlight the prevalence of SCat in seized materials of the Portuguese market. Reference standards are usually required for confirmation, but when reference materials are not available, the combination of complementary techniques is fundamental for a rapid and an unequivocal identification of such substances.
新型精神活性物质（NPS）市场的创新需要快速识别可能危害公众健康的新物质，以减少其使用造成的损害。通过衰减全反射傅里叶变换红外光谱（ATR-FTIR）、气相色谱-质谱联用（GC-MS）和核磁共振光谱（NMR）对12种疑似含有非法物质的查获产品进行了分析。在所有产品中均发现了合成卡西酮（SCat），其既可以作为单一成分存在，也可以存在于混合物中。所有产品的红外光谱均与SCat的分子结构一致，在1700-1674 cm处显示出强吸收带，对应于羰基伸缩振动；在1605-1580 cm处有一个中强峰，表明芳环（C=C）中的伸缩振动；在2700-2400 cm附近频率处有相对低强度的谱带，对应于胺盐。通过GC-MS和NMR分析总共鉴定出8种卡西酮衍生物：4'-甲基-α-吡咯烷己酮（MPHP）、α-吡咯烷己酮（α-PHP）、3-氟甲基卡西酮（3-FMC）、甲麻黄碱、亚甲基二氧吡咯戊酮、丁丙诺啡、β-乙基卡西酮和戊烯酮。在这些样品中发现的掺杂物中，咖啡因是最常检测到的物质，其次是乙哌立松。这些结果突出了SCat在葡萄牙市场查获材料中的普遍性。通常需要参考标准进行确认，但当没有参考材料时，互补技术的结合对于快速明确鉴定此类物质至关重要。
