Wu Jing, Zhang Yulin, Zhang Qiwei, Tan Fang, Liu Qiongyu, Yang Xiaoqiu
School of Optoelectronic Materials & Technology, Jianghan University, Wuhan 430056, China.
College of Environment and Health, Jianghan University, Wuhan 430056, China.
Toxics. 2024 Aug 26;12(9):630. doi: 10.3390/toxics12090630.
With the rapid development of society, more and more unknown halogenated disinfection byproducts (DBPs) enter into drinking water and pose potential risks to humans. To explore the unknown halogenated DBPs in tap water, a selectively nontargeted analysis (SNTA) method was developed by conducting micro-liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (micro-LC-QTOFMS). In this method, two runs were employed: in the first run, the modes of and (the fragments were set as Cl/Cl, Br/Br, and I) were performed, and the molecular ions or precursor ions of the halogenated organics could be obtained; in the second run, the mode was conducted by setting the molecular ion screened above, and the MS/MS spectrums could be acquired to speculate concerning the structure. Two kinds of model DBPs (one kind had an aliphatic structure and the other was an aromatic compound) were used to optimize the parameters of the MS, and their MS characteristics were summarized. With this SNTA method, 15 halogenated DBPs were screened in two tap water samples and their structures were proposed. Of them, six DBPs had not been reported before and were assumed to be new DBPs. Overall, the detected halogenated DBPs were mostly acidic substances.
随着社会的快速发展，越来越多未知的卤代消毒副产物（DBPs）进入饮用水中，对人类构成潜在风险。为了探索自来水中未知的卤代DBPs，通过微液相色谱-四极杆飞行时间质谱联用（micro-LC-QTOFMS）建立了一种选择性非靶向分析（SNTA）方法。在该方法中，采用两次运行：第一次运行，进行 和 模式（碎片设定为Cl/Cl、Br/Br和I），可获得卤代有机物的分子离子或前体离子；第二次运行，以上述筛选出的分子离子为设定值进行 模式，可获得MS/MS谱图以推测结构。使用两种模型DBPs（一种具有脂肪族结构，另一种为芳香族化合物）对质谱参数进行优化，并总结了它们的质谱特征。利用这种SNTA方法，在两个自来水样品中筛选出15种卤代DBPs，并提出了它们的结构。其中，有6种DBPs此前未被报道，被认为是新的DBPs。总体而言，检测到的卤代DBPs大多为酸性物质。
