利用高分辨液质联用仪检测新型合成大麻素

Identifi cation of AMB-FUBINACA with the Indicative Clue from GCMS Database and Results of LC-Q-TOF-MS

目的介绍一种鉴别非法合成大麻素(AMB-FUBINACA)结构的方法。方法巧用GC-MS质谱谱库检索提示信息,利用高分辨液质联用仪的一级质谱碎片推导的分子式与GC-MS的质谱谱库检索物质的分子式进行比较,推测目标物的结构式。目标物的结构式符合液质联用仪(LC-MS/MS)的二级质谱碎片(误差4×10-7)和GC-MS的质谱碎片归属,并结合文献报道进行综合研判。结果对一例网络售卖合成大麻素的案件进行了检验,准确判定缴获样品“小树枝”中含有的合成大麻素为AMB-FUBINACA。结论该方法可为解析一些未知物的结构提供新途径。

Objective To introduce a novel method on identifying the structure of one illegal synthetic cannabinoid.Methods One seized evidential material(from the so-called“twig”drug)was detected of undefi ned component.Through skillful use of the indicative clue from GC-MS database by the retrieval results in combination of the ones from LC-QTOF-MS plus the literature reports,the comparison was conducted into the molecular formulae that were deduced by both the resultant fragments of primary mass spectrums from high-resolution LC-Q-TOF-MS and GC-MS database,thereby the structure of targeted substance being derived to conform that of the fragment(error about 4×10-7)of second mass spectrum from LC-Q-TOF-MS and meanwhile belonging to the fragment from GC-MS.Finally,the undefi ned“twig”component was determined of AMB-FUBINACA(one kind of indazole amides,also a cannabinoid-class chemical with its offi cial name of chemistry being methyl 2-({1-[(4-fl uorophenyl)methyl]-1H-indazole-3-carbonyl}amino)-3-methylbutanoate).Results With the result of AMB-FUBINACA identified,the case of selling synthetic cannabinoids(“twig”)on the Internet was solved.Conclusion The approach adopted here can provide a new choice to resolve the structure of one unknown drug.