Screening of chemicals related to chemical weapons convention including their all possible degradation and reaction products in environmental samples is important in the organization for prohibition of chemical weapons verification process. Sulfur mustards, commonly known as blistering agents, are included in schedule 1 chemicals of chemical weapons convention. Because of the presence of chlorine atoms in sulfur mustards, they are highly reactive and prone to react with other organic molecules such as phenols to produce corresponding reaction products. Thus, it is important to screen for not only the sulfur mustards but also their reaction products for verification process. The sulfur mustards and their degradation products have been routinely analyzed by gas chromatography/mass spectrometry method, however, the methods are yet to establish for the reaction products. In this study, the reaction products of the sulfur mustards with phenol (compounds 1–7) were studied by gas chromatography/mass spectrometry under electron ionization and chemical ionization conditions. The EI spectra of 1–7 displayed molecular ion and characteristic fragments that provided structure information. Mostly the fragment ions were due to homolytic cleavages involving C–O, C–S, and C–C cleavages. The methane or isobutane CI spectra showed M+., [M + H]+, and [M − H]+ ions including reagent specific adduct ions. The CI spectra also showed other adduct ions formed by association of analyte molecule with its most abundant fragment ion. The gas chromatography/retention index values were also calculated, which support unambiguous identification of targeted molecules in suspected environmental samples. The method was demonstrated for detection of the targeted molecules spiked in soil samples.

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硫芥与苯酚反应产物的气相色谱/质谱分析

筛选与化学武器公约相关的化学品，包括环境样品中所有可能的降解和反应产物，对于禁止化学武器核查过程的组织非常重要。硫芥，俗称起泡剂，被列入化学武器公约附表 1 化学品。由于硫芥中存在氯原子，它们的反应性很强，容易与酚等其他有机分子反应生成相应的反应产物。因此，重要的是不仅要筛选硫芥子气，还要筛选其反应产物以进行验证过程。硫芥及其降解产物已通过气相色谱/质谱法进行常规分析，但是，反应产物的方法尚未建立。在本研究中，通过气相色谱/质谱在电子电离和化学电离条件下研究了硫芥与苯酚（化合物 1-7）的反应产物。1-7 的 EI 谱图显示了提供结构信息的分子离子和特征碎片。大部分碎片离子是由于涉及 C-O、C-S 和 C-C 裂解的均裂。甲烷或异丁烷 CI 谱图显示 M+.、[M + H]+ 和 [M - H]+ 离子，包括试剂特定的加合物离子。CI 谱图还显示了由分析物分子与其最丰富的碎片离子结合形成的其他加合物离子。还计算了气相色谱/保留指数值，支持明确识别可疑环境样品中的目标分子。该方法用于检测土壤样品中掺入的目标分子。