新型苯环己哌啶衍生物溴胺酮的表征与分析

Characterization and Identifi cation of Br-ketamine:A Novel Phenyclohexidine Derivative

为了对案件缴获的疑似毒品进行分析,确认化合物种类,建立化合物的表征数据,本文基于气相色谱–质谱联用技术(GC-MS)、液相色谱–高分辨飞行时间质谱联用技术(LC-QTOF)、傅里叶变换红外光谱技术(FT-IR)、核磁共振氢谱(1HNMR)及碳谱(13CNMR)、X射线单晶衍射(X-raydiffractionofsingle crystal)等多种手段对目标化合物进行分析和表征。测定了已列管的氯胺酮和氟胺酮的二级质谱,建立中性丢失质谱碎片信息,并与目标化合物进行比对。通过多种分析手段与中性丢失质谱碎片信息比对结果,确认该化合物为溴胺酮。新型苯环己哌啶衍生物溴胺酮存在一定的毒品替代和滥用风险,本研究建立的溴胺酮的分析与表征数据能够为公安机关对溴胺酮的鉴定工作提供参考依据。

For the analysis of the suspected drugs seized in a local case,and for the identification and characterization of the compound,this paper identified and characterized the target compound based on several techniques including gas chromatography-mass spectrometry(GC-MS),liquid chromatography-high resolution time-of-flight mass spectrometry(LC-QTOF),Fourier transform infrared spectroscopy(FT-IR),hydrogen nuclear magnetic resonance spectroscopy(1H NMR),carbon nuclear magnetic resonance spectroscopy(13C NMR)and X-ray diffraction(XRD)of single crystal.The fragment information and neutral loss mass spectrum of ketamine and F-ketamine were determined and compared with the target compound.Based on the characterization results and neutral loss mass spectrum,the compound possesses bromine stable isotopes and a similar structure with ketamine and F-ketamine,which has been identified as Br-ketamine.Ketamine,one of the most widely abused drugs,and its derivative F-ketamine(2-FDCK)have been both forbidden by the Chinese government.To avoid the legal sanction,drug criminals usually modify the chemical structures of old drugs.It can be expected that Br-ketamine has some risks of drug abuse.However,there was no relevant research on characterization,psychoactivity,addiction and physiological toxicity.Therefore,this work provides identification and characterization of Br-ketamine,a new phencyclidine derivative.On one hand,this work provides significant references for the identification of Br-ketamine and further research.On another hand,the proposed identification method using neutral loss mass spectra can also be applied to other unknown compounds.