一种新型苯环己哌啶衍生物氟胺酮的质谱分析及结构确证  

Structural Confirmation of F-ketamine(a Novel Phenyclohexidine Derivative)with Mass Spectrometry and Nuclear Magnetic Resonance

作　　者：吴永富 曾静 蔡玉刚 米兰[3] WU Yongfu;ZENG Jing;CAI Yugang;MI Lan(Institute of Criminal Science and Technology,Luzhou Public Security Bureau,Luzhou 646000,Sichuan,China;Southwest Medical University,Luzhou 646000,Sichuan,China;Criminal Investigation Bureau,Sichuan Provincial Public Security Department,Chengdu 610041,China)

机构地区：[1]泸州市公安局刑事科学技术研究所,四川泸州646000 [2]西南医科大学,四川泸州646000 [3]四川省公安厅刑事侦查局,成都610041

出　　处：《刑事技术》2021年第3期273-277,共5页Forensic Science and Technology

基　　金：四川省省级大学生创新创业训练项目(S202012212005)。

摘　　要：目的利用气相色谱-质谱联用(GC-MS)、超高效液相色谱-串联四极杆飞行时间质谱(UPLC-QTOF)、核磁共振(NMR)等技术对新型苯环己哌啶衍生物氟胺酮进行结构确认。方法对缴获的白色晶体使用GCMS、UPLC-QTOF、1H NMR、13C NMR进行分析,确定未知化合物分子式。结果通过GC-MS分析获得未知化合物特征碎片离子m/z 164.1、193.1、136.0,推断出其可能裂解机制,通过UPLC-QTOF获得未知化合物的精确质量数为221.1285和同位素离子峰簇特征,结合1H NMR的质子数为16及其归属,13C-NMR的碳类型,确定分子式为C13H16FNO,并确认该物质为氟胺酮。结论GC-MS、UPLC-QTOF、1H-NMR、13C-NMR多种方法联合应用可用于对未知精神活性物质的检验。Objective to confirm the structure of F-ketamine,a new phenyclohexidine derivative,through the analyses of ultra-high performance liquid chromatography-quadrupole time-of-flight mass spectrometry(UPLC-QTOF),nuclear magnetic resonance(NMR)and other technic approaches.Methods One seized white crystal was respectively analyzed with GC-MS,UPLC-QTOF,1H-NMR AND 13C-NMR so as to determine its contained main chemical and molecular formula.Results Through adoption of GC-MS,an unknown compound from the seized white crystal was detected to have shown its characteristic fragment ions at m/z 164.1,193.1,136.0 so that the involving possible cracking mechanism was therewith inferred.Further,UPLC-QTOF approach brought out the accurate mass amount of the unknown compound being 221.1285 and the characteristic isotopic peak clustering ions.In combination of the proton number being 16 from 1H-NMR and attribution ascertainment plus the carbon type from 13C-NMR analysis,the unknown compound was determined of its molecular formula as C13H16FNO,therefore confirmed as F-ketamine.Conclusion The combinatorial application of GC-MS,UPLC-QTOF,1H-NMR and 13C-NMR is appropriate to test and determine the unknown new psychoactive substances.

关 键 词：法医毒理学 苯环己哌啶衍生物 氟胺酮 气相色谱-质谱联用 超高效液相色谱-串联四极杆飞行时间质谱 核磁共振 

分 类 号：DF795.1[医药卫生—法医学]