首页|合成大麻素类新精神活性物质EI质谱特征研究

合成大麻素类新精神活性物质EI质谱特征研究

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目的:对合成大麻素类新精神活性物质在电子轰击模式下质谱(EI-MS)的裂解规律进行探讨.方法:采用气相色谱-质谱(GC-MS)对40种合成大麻素类进行系统研究,电子轰击电离源,电子能量70 eV;扫描范围m/z50～600.结果:依据"头部基团"和"连接基团"结构的不同,将40种合成大麻素分为6类,分别为苯基异丙基-酰胺类、金刚烷-酰胺类、氨甲酰基/丁酸甲酯-酰胺类、萘甲酰类、苯甲/乙酰类和四甲基环丙烷-酰类.通过对合成大麻素EI-MS质谱图的解析,给出了不同种类合成大麻素的EI-MS裂解规律以及特征离子.合成大麻素主要的EI-MS裂解规律为"连接基团"中羧基的两侧极易发生α断裂,以及吲哚/吲唑母核上的N原子易发生γ-H重排,并失去一分子R1.此外,碎片离子m/z 116、130、144为吲唑母核的特征碎片,而碎片离子m/z 117、131、145为吲哚母核的特征碎片离子,可用于确定合成大麻素母核.结论:该类化合物有着较强的裂解规律,在缺少标准物质或商业化的质谱库难以获取时,所提出的合成大麻素EI-MS裂解规律可以帮助对未知的合成大麻素进行快速结构鉴定.
Fragmentation patterns of synthetic cannabinoids based on electron impact ionization mass spectrometry
Objective:To explore the fragmentation patterns of synthetic cannabinoids by electron impact(EI)ionization mass spectrometry.Methods:Forty synthetic cannabinoids were systematically investigated by gas chro-matography coupled to mass spectrometry(GC-MS).Ionization mode was EI(70 eV)and the acquisition range was m/z 50-600.Results:According to the different structures of the"head group"and"linked group",forty synthetic cannabinoids were divided into six categories,namely cumyl-carboxamide type,adamantyl-carboxam-ide type,carbamoyl/methyl butyrate-carboxamide type,naphthylformyl type,benzoyl/phenylacetyl type and tetramethylcyclopropane-acyl type.Through the analysis of the mass spectrum of synthetic cannabinoids,the fragmentation pathways and characteristic ions of different types of synthetic cannabinoids were given.The main EI-MS fragmentation patterns of synthetic cannabinoids were that both sides of the carbonyl group in the"linking group"undergo α-cleavage,and the N atom on the indole/indazole parent nucleus was prone to γ-H rear-rangement,and loss of a R1.In addition,fragment ions m/z 116,130,144 and fragment ions m/z 117,131,145 were the characteristic fragments of indazole and indole parent nucleus,which could be used to identify the parent nucleus of synthetic cannabinoids.Conclusion:These kind of compounds have strong fragmentation regu-larity.When standard substances are lacking or commercial mass spectral libraries are difficult to obtain,the pro-posed synthetic cannabinoids EI-MS fragmentation pathways can help to rapidly identify the structures of un-known synthetic cannabinoids.

synthetic cannabinoidsGC-MSelectron impact ionization tandem mass spectrometrystructural clas-sificationfragmentation patternscharacteristic fragmentation ion

范一雷、陈显鑫、吴昊、柯星、徐雨

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全省毒品防控技术研究重点实验室,浙江警察学院,杭州 310052

国家毒品实验室浙江分中心,杭州 310052

浙江迪安司法鉴定中心,杭州 310007

合成大麻素类 气相色谱-质谱 电子轰击模式 结构分类 裂解规律 特征碎片离子

浙江省自然科学基金资助项目浙江省自然科学基金资助项目毒品监测管控与禁毒关键技术公安部重点实验室开放基金资助项目全省毒品防控技术研究重点实验室国家毒品实验室浙江分中心项目

LTGC23H230001LTGC23B0500032022-KLDMC-06NNLZRC-2024-001

2024

10.16155/j.0254-1793.2024-0019

药物分析杂志
中国药学会

药物分析杂志

CSTPCD北大核心
影响因子：1.039
ISSN：0254-1793
年,卷(期)：2024.(9)
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