This study investigates the use of selected ion flow tube mass spectrometry with an automated headspace pretreatment system for the continuous surveillance of water quality at wastewater treatment plants (WWTPs) and rivers. The reaction rates of the target compounds introduced using the headspace method were similar to those of the mass scan library, with a margin of error of <10%. Novel quantitative formulae were derived for the water samples of the target compounds, and the linearity of the calibration curves for both the purified and effluent matrix (0.1–2.0 mg/L) showed a coefficient of determination of 0.98–0.99 for most compounds. The detection limit for 74% of the target substances was 0.02–0.10 mg/L, and the average recoveries were 111.6% and 104.7% for the low- and high-concentration spiked samples, respectively, which are comparable to those of the headspace gas chromatography-mass spectrometry system. However, the variability in individual concentrations was still large, due to the unstable control of sample injection flow and pressure. Herein, 79% of the 28 compounds met one-tenth of the proposed method detection limit criteria for emergency operations in WWTP. Field experiments showed that the system was easy to maintain and could be used to monitor chemical accidents.

中文翻译：

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具有在线顶空样品预处理的直接质谱法，用于连续水质监测

本研究调查了选择离子流管质谱与自动顶空预处理系统的使用，以连续监测废水处理厂 (WWTP) 和河流的水质。使用顶空法引入的目标化合物的反应速率与质量扫描库的反应速率相似，误差幅度 <10%。针对目标化合物的水样推导出新的定量公式，纯化和流出基质 (0.1–2.0 mg/L) 的校准曲线的线性表明大多数化合物的测定系数为 0.98–0.99。74% 目标物质的检出限为 0.02-0.10 mg/L，低浓度和高浓度加标样品的平均回收率分别为 111.6% 和 104.7%，可与顶空气相色谱-质谱系统相媲美。然而，由于样品注射流量和压力的不稳定控制，个体浓度的变异性仍然很大。在此，28 种化合物中的 79% 达到了污水处理厂应急操作方法检测限标准的十分之一。现场实验表明，该系统易于维护，可用于化学品事故监测。