基于UPLC-Q-TOF MS技术的氨甲酰基吲哚/吲唑酰胺类合成大麻素质谱特征研究  

Fragmentation Pathway of Synthetic Cannabinoids with an Indole/Indazole-3-Carboxamide Structure Bearing a 1-Carbamoylpropyl Group Using UPLC-Q-TOF MS

作　　者：钱振华[1] 刘翠梅[2] 花镇东[2] 高利生[1] QIAN Zhen-hua1,LIU Cui-mei2,HUA Zhen-dong2,GAO Li-sheng1(1. Institute o f Forensic Science M inistry o f Public Security, B eijing 100038, China2. Drug Intelligence and Forensic Center o f the M inistry o f Public Security,B eijing 100193,Chin)

机构地区：[1]公安部物证鉴定中心,北京100038 [2]公安部禁毒情报技术中心,北京100193

出　　处：《质谱学报》2018年第3期323-330,共8页Journal of Chinese Mass Spectrometry Society

基　　金：中央级公益性科研院所基本科研业务费专项资金(2017JB030)资助

摘　　要：采用超高效液相色谱-串联四极杆飞行时间质谱法(UPLC-Q-TOF MS)分析2015~2016年国内检测发现的17种氨甲酰基吲哚/吲唑酰胺类合成大麻素。采用Waters Acquity UPLC CSHTMC18色谱柱(100mm×2.1mm×1.7μm),以0.1%甲酸水溶液(A)-乙腈(B)为流动相进行梯度洗脱,在电喷雾正离子模式下采集数据。通过总结该类物质在碰撞诱导解离(CID)时获得的子离子与分子结构的关系,推测其可能的碎裂途径,并归纳了根据谱图推导未知氨甲酰基吲哚/吲唑酰胺类合成大麻素结构的方法,可为该类物质的鉴定提供参考。A large number of new psychoactive substances （NPS） have gained much and popularity on the global market in the last few years. By December 2016,106 countries and territories have reported the emergence of a cumulative total of 739different NPS t o Uni t ed Nat i ons Office on Drugs and Crime （UNODC） Early WarningAdvisory （EW A ） , far exceeding the 251 substances currently controlled under theInternational Drug Conventions. Indeed,NPS are proliferating at an unprecedented rate and pose a significant risk to public health and a challenge to drug policy. NPS canbecategorized in terms of similarity in chemical structure and/or by their major pharmacologicaleffects （for example, synthetic cannabinoids, synthetic cathinones, phenethy--amines,tryptamines, and piperazines, etc）. Among all the NPS reported to UNODC bythe end of 2016 , synthetic cannabinoids constitute the largest category in terms of thenumber of different substances reported. Since the identification of the first syntheticcannabinoid in 2006, more than 230 synthetic cannabinoids have been reported. In 2015-2016, a series of seventeen synthetic cannabinoids with an indole/indazole-3-carboxamidestructure bearing a 1-carbamoylpropyl group were identified by ultra performanceliquid chromatography-quadrupole time-of-f light-mass spectrometry （UPLC-Q-TOFMS）, gas chromatography-mass spectrometry （GC/M S） , and nuclear magnetic resonancespectroscopy （NM R）. The compounds have very high cannabimimetic activitywhich have caused mass severe intoxication and deaths. The mass-spectral fragmentationsof these compounds following collision-induced dissociation （CID） were studied.Compounds were analyzed on Acquity UPLC CSHTM C18 column （100 m m X2. 1 mmX1. 7 !m） with 0. 10 formic acid aqueous solution （A）-acetonitrile （B ） as mobile phasefor gradient elution. The data were collected using Q-TOF MS at positive electrosprayion mode. The fragmentation behaviors especially the MS fragmentation rules werecompared. According to the

关 键 词：超高效液相色谱-串联四极杆飞行时间质谱(UPLC-Q-TOFMS)合成大麻素 碎裂途径 新精神活性物质 

分 类 号：O657.63[理学—分析化学]