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首页> 外文期刊>Journal of mass spectrometry: JMS >Positional isomer differentiation of synthetic cannabinoid JWH-081 by GC-MS/MS
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Positional isomer differentiation of synthetic cannabinoid JWH-081 by GC-MS/MS

机译：合成大麻素JWH-081的位置异构体的GC-MS / MS鉴别

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摘要

Like many new designer drugs of abuse, synthetic cannabinoids (SC) have structural or positional isomers which may or may not all be regulated under law. Differences in acute toxicity may exist between isomers which impose further burden in the fields of forensic toxicology, medicine and legislation. Isomer differentiation therefore becomes crucial from these standpoints as new designer drugs continuously emerge with just minor positional modifications to their preexisting analogs. The aim of this study was to differentiate the positional isomers of JWH-081. Purchased standard compounds of JWH-081 and its positional isomers were analyzed by gas chromatography-electron ionization-mass spectrometry (GC-EI-MS) first in scan mode to investigate those isomers who could be differentiated by EI scan spectra. Isomers with identical or near-identical EI spectra were further subjected to GC-tandem mass spectrometry (MS/MS) analysis with appropriate precursor ions. EI scan was able to distinguish 3 of the 7 isomers: 2-methoxy, 7-methoxy and 8-methoxy. The remaining isomers exhibited near-identical spectra; hence, MS/MS was performed by selecting m/z 185 and 157 as precursor ions. 3-Methoxy and 5-methoxy isomers produced characteristic product ions that enabled the differentiation between them. Product ion spectrum of 6-methoxy isomer resembled that of JWH-081; however, the relative ion intensities were clearly different from one another. The combination of EI scan and MS/MS allowed for the regioisomeric differentiation of the targeted compounds in this study. Copyright (c) 2015 John Wiley & Sons, Ltd.
机译：像许多新的设计滥用药物一样，合成大麻素（SC）具有结构或位置异构体，这些异构体可能受法律约束，也可能不受法律约束。异构体之间可能存在急性毒性差异，这在法医毒理学，医学和立法领域带来了更多负担。因此，从这些观点出发，随着新设计药物不断涌现，并且对其原有类似物进行微小的位置修饰，异构体的分化就变得至关重要。这项研究的目的是区分JWH-081的位置异构体。首先以扫描模式通过气相色谱-电子电离质谱（GC-EI-MS）分析了购买的JWH-081及其位置异构体的标准化合物，以研究可通过EI扫描谱区分的异构体。对具有相同或接近相同EI光谱的异构体，使用适当的前体离子进一步进行GC串联质谱（MS / MS）分析。 EI扫描能够区分7种异构体中的3种：2-甲氧基，7-甲氧基和8-甲氧基。其余的异构体表现出近乎相同的光谱。因此，通过选择m / z 185和157作为前体离子来执行MS / MS。 3-甲氧基和5-甲氧基异构体产生特征性的产物离子，从而使它们之间可以区分。 6-甲氧基异构体的产物离子光谱类似于JWH-081。但是，相对离子强度明显不同。 EI扫描和MS / MS的组合可用于本研究中目标化合物的区域异构区分。版权所有（c）2015 John Wiley＆Sons，Ltd.

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