Department of Chemistry, Purdue University, 560 Oval Drive, West Lafayette, IN 47907, USA.
Rapid Commun Mass Spectrom. 2011 May 30;25(10):1437-44. doi: 10.1002/rcm.5018.
Vapors of four chemical warfare agent (CWA) stimulants, 2-chloroethyl ethyl sulfide (CEES), diethyl malonate (DEM), dimethyl methylphosphonate (DMMP), and methyl salicylate (MeS), were detected, identified, and quantitated using a fully automated, field-deployable, miniature mass spectrometer. Samples were ionized using a glow discharge electron ionization (GDEI) source, and ions were mass analyzed with a cylindrical ion trap (CIT) mass analyzer. A dual-tube thermal desorption system was used to trap compounds on 50:50 Tenax TA/Carboxen 569 sorbent before their thermal release. The sample concentrations ranged from low parts per billion [ppb] to two parts per million [ppm]. Limits of detection (LODs) ranged from 0.26 to 5.0 ppb. Receiver operating characteristic (ROC) curves are presented for each analyte. A sample of CEES at low ppb concentration was combined separately with two interferents, bleach (saturated vapor) and diesel fuel exhaust (1%), as a way to explore the capability of detecting the simulant in an environmental matrix. Also investigated was a mixture of the four CWA simulants (at concentrations in air ranging from 270 to 380 ppb). Tandem mass (MS/MS) spectral data were used to identify and quantify the individual components.
四种化学战剂（CWA）刺激剂的蒸气，即 2-氯乙基乙基硫醚（CEES）、丙二酸二乙酯（DEM）、二甲基甲基膦酸酯（DMMP）和水杨酸甲酯（MeS），使用全自动、现场部署、微型质谱仪进行了检测、鉴定和定量。样品使用辉光放电电子电离（GDEI）源进行离子化，并用圆柱离子阱（CIT）质量分析仪对离子进行质量分析。使用双管热解吸系统在热释放之前将化合物捕获在 50:50 Tenax TA/Carboxen 569 吸附剂上。样品浓度范围从低至十亿分之几（ppb）到百万分之几（ppm）。检测限（LOD）范围从 0.26 到 5.0 ppb。为每个分析物呈现了接收器操作特性（ROC）曲线。将低 ppb 浓度的 CEES 样品分别与两种干扰物，漂白剂（饱和蒸气）和柴油燃料废气（1%）混合，以探索在环境基质中检测模拟物的能力。还研究了四种 CWA 模拟物的混合物（空气中浓度范围为 270 至 380 ppb）。串联质谱（MS/MS）谱数据用于鉴定和定量各个成分。
