苯基异丙基-酰胺系列合成大麻素质谱特征的研究  

Analysis of Fragmentation Pathways of Cumyl-Carboxamide Synthetic Cannabinoids New Psychoactive Substances

作　　者：钱振华[1] 贾薇[2] 刘翠梅[2] QIAN Zhen-Hua;JIA Wei;LIU Cui-Mei(Institute of Forensic Science,Ministry of Public Security,Beijing 100038,China;Drug Intelligence and Forensic Center of the Ministry of Public Security,Beijing 100193,China)

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：《分析化学》2020年第11期1564-1572,共9页Chinese Journal of Analytical Chemistry

摘　　要：采用气相色谱-质谱联用(GC-MS)法和超高效液相色谱-串联四极杆飞行时间质谱(UPLC-QTOF-MS)法对新一代合成大麻素苯基异丙基(CUMYL)-酰胺系列化合物进行分析。GC-MS分析采用Aglient DB-5MS石英毛细管色谱柱(30 m×0.25 mm×0.25μm),以140℃为初温进行程序升温,在电子轰击源(EI)模式下采集数据;UPLC-QTOF-MS分析采用Waters Acquity UPLC BEH C 18色谱柱(100 mm×2.1 mm,1.7μm),以0.1%甲酸(A)-乙腈(B)为流动相进行梯度洗脱,在电喷雾正离子(ESI+)-碰撞诱导解离(CID)模式下采集数据。通过总结此类物质在两种模式下获得的碎片离子与分子结构的关系,推测其可能的碎裂途径,并归纳了通过特征性离子快递筛查未知CUMYL-酰胺系列合成大麻素的方法,为此类物质的鉴定提供了参考。The aim of this study was to determine the ions formed during the fragmentation of new generation cumyl-carboxamide synthetic cannabinoids using gas chromatography-mass spectrometry(GC-MS)and ultra performance liquid chromatography-quadrupole time-of-flight-mass spectrometry(UPLC-QTOF-MS)to identify ions characteristic for different parts of the molecules.Compounds were analyzed on Aglient DB-5MS column(30 m×0.25 mm×0.25μm)with an initial temperature of 140℃for gradient increased temperature by GC-MS and Acquity UPLC BEH C 18 column(100 mm×2.1 mm i.d.,1.7μm particle diameter)with 0.1%formic acid aqueous solution(A)-acetonitrile(B)as mobile phase for gradient elution by UPLC-QTOF-MS.The fragmentation behaviors,especially the MS fragmentation rules,were compared and summarized.According to the structure and the typical fragmentations,these compounds could be easily identified.The countless possibilities to create new synthetic cannabinoids by small changes in chemical structures posed a growing challenge to forensic analysts.The work was helpful to assist forensic laboratories in identifying these kinds of compounds or other substances with similar structure in their case work.

关 键 词：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 新精神活性物质 苯基异丙基-酰胺系列合成大麻素 特征性离子 碎裂途径 

分 类 号：O657.63[理学—分析化学] R284[理学—化学]