The identification of chemical attribution signatures of stored VX nerve agents using NMR, GC-MS, and LC-HRMS.,Talanta

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The identification of chemical attribution signatures of stored VX nerve agents using NMR, GC-MS, and LC-HRMS.
Talanta ( IF 5.6 ) Pub Date : 2020-01-15 , DOI: 10.1016/j.talanta.2020.120753
Simon P B Ovenden ₁ , Renée L Webster ₁ , Eva Micich ₁ , Lyndal J McDowall ₁ , Nathan W McGill ₁ , Jilliarne Williams ₁ , Shannon D Zanatta ₁

Affiliation

The organophosphorous nerve agent VX is classified by the Chemical Warfare Convention (CWC) as a Schedule 1 chemical; namely a substance that is highly toxic with no use that is of benefit to society. Even with this classification, the nefarious use of the Schedule 1 chemical VX has been observed, as demonstrated in 2017 in Malaysia. Therefore, undertaking chemical analysis on samples of VX to identify chemical attribution signatures (CAS) for chemical forensics is required. To further understand the chemical profile of VX, and to aid in the identification of potential CAS, three in house synthesised stocks of VX were investigated. The three VX stocks analysed were synthesised in 2014, 2017 and 2018 using the same method, allowing for a comparison of data between each of the stocks at different stages of storage. As opposed to a majority of literature reports, these agent stocks were not stabilised, nor were they subjected to forced degradation. Using NMR, high resolution (HR) LC-HRMS, GC-(EI)MS and GC-(CI)MS to gain a full insight into the CAS profile, a total of 44 compounds were identified. Of these compounds, 30 were readily identified through accurate mass measurement and NIST library matches. A further seven were identified through extensive LC-HRMS/MS studies, with seven remaining unresolved. Several compounds, identified in minor amounts, were able to be traced back to impurities in the precursor compounds used in the synthesis of VX, and hence may be useful as CAS for source attribution.

中文翻译：

使用NMR，GC-MS和LC-HRMS识别存储的VX神经毒剂的化学属性特征。

根据《化学战公约》（CWC），有机磷神经毒剂VX被归为附表1化学品；即一种剧毒而无用的物质，对社会有益。即使采用这种分类，2017年在马来西亚也发现了恶意使用附表1化学品VX的情况。因此，需要对VX样本进行化学分析以识别化学法医的化学属性签名（CAS）。为了进一步了解VX的化学特征，并帮助鉴定潜在的CAS，对三种内部VX合成库存进行了研究。使用相同的方法在2014年，2017年和2018年综合分析了三只VX股票，从而可以比较处于不同存储阶段的每只股票之间的数据。与大多数文献报道相反，这些代理商库存没有稳定下来，也没有受到强迫降解。使用NMR，高分辨率（HR）LC-HRMS，GC-（EI）MS和GC-（CI）MS全面了解CAS概况，共鉴定出44种化合物。通过精确的质量测量和NIST库匹配可轻松鉴定出30种化合物。通过广泛的LC-HRMS / MS研究确定了另外七个，还有七个尚未解决。少量鉴定出的几种化合物可以追溯到VX合成中使用的前体化合物中的杂质，因此可用作来源归因的CAS。使用GC-（EI）MS和GC-（CI）MS可以全面了解CAS概况，共鉴定出44种化合物。通过精确的质量测量和NIST库匹配可轻松鉴定出30种化合物。通过广泛的LC-HRMS / MS研究确定了另外七个，还有七个尚未解决。少量鉴定出的几种化合物可以追溯到VX合成中使用的前体化合物中的杂质，因此可用作来源归因的CAS。使用GC-（EI）MS和GC-（CI）MS可以全面了解CAS概况，共鉴定出44种化合物。通过精确的质量测量和NIST文库匹配，可以轻松鉴定出30种化合物。通过广泛的LC-HRMS / MS研究确定了另外七个，还有七个尚未解决。少量鉴定出的几种化合物可以追溯到VX合成中使用的前体化合物中的杂质，因此可用作来源归因的CAS。

更新日期：2020-01-15

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