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首页> 外文期刊>Journal of Pharmaceutical and Biomedical Analysis: An International Journal on All Drug-Related Topics in Pharmaceutical, Biomedical and Clinical Analysis >Development of a fragmentation pattern of synthetic cannabinoids based on electrospray ionization mass spectrometry in positive ion mode to screen synthetic cannabinoids in illicit products
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Development of a fragmentation pattern of synthetic cannabinoids based on electrospray ionization mass spectrometry in positive ion mode to screen synthetic cannabinoids in illicit products

机译：基于电喷雾电离质谱法在阳性离子模式下的阳性离子模式下筛选非法产品的合成大麻素的碎片模式

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To explore the MS fragmentation pattern of synthetic cannabinoids by electrospray ionization mass spectrometry, twenty-seven synthetic cannabinoids were systematically investigated by liquid chromatography coupled to high-resolution quadrupole Orbitrap mass spectrometry(LC-Q-Orbitrap/MS)with positive mode of electrospray ionization. Based on tandem multistage MS and high resolution MS data, MS fragmentation pattern of synthetic cannabinoids was summarized. The cleavage of C-C bonds next to the oxygen at the side chain on the C-3 position of synthetic cannabinoids was the characteristic fragmentation pathway of synthetic cannabinoids in the positive mode of electrospray ionization. When the synthetic cannabinoids with a 3-carbamoylpropyl-indole/indazole structure, NH3, CO, NH2CHO and CH2(CH3)(2) were easy to lose to form different ions. While when the synthetic cannabinoids with a 3-carboxamide-indole/indazole structure, the side chain on the C-3 position was susceptible to gamma-cleavage. In addition, this MS fragmentation pattern was applied to quickly screen whether electronic cigarette oil and tobacco from drug cases contain synthetic cannabinoids. This kind of compounds had strong fragmentation pattern, which provided new evidence for the rapid structure identification of synthetic cannabinoids. (C) 2020 Elsevier B.V. All rights reserved.
机译：为了探索电喷雾电离质谱法合成大麻素的质谱裂解模式，采用液相色谱-高分辨率四极轨道质谱联用技术（LC-Q-Orbitrap/MS）对27种合成大麻素进行了系统的研究。基于串联多级质谱和高分辨率质谱数据，总结了合成大麻素的质谱裂解模式。在正电喷雾电离模式下，合成大麻素C-3位侧链上靠近氧的C-C键断裂是合成大麻素的特征裂解途径。当合成的大麻素具有3-氨甲酰丙基吲哚/吲哚唑结构时，NH3、CO、NH2CHO和CH2（CH3）（2）容易流失，形成不同的离子。而当合成的大麻素具有3-甲酰胺-吲哚/吲哚唑结构时，C-3位置的侧链容易发生γ裂解。此外，这种质谱裂解模式被用于快速筛选电子烟油和毒品案件中的烟草是否含有合成大麻素。这类化合物具有很强的裂解模式，为合成大麻素的快速结构鉴定提供了新的证据。（C） 2020爱思唯尔B.V.版权所有。

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