State Key Laboratory of Environmental Aquatic Chemistry, Research Center for Eco-Environmental Sciences, Chinese Academy of Sciences , Beijing 100085, China.
Environ Sci Technol. 2014 Mar 18;48(6):3112-9. doi: 10.1021/es4057399. Epub 2014 Mar 7.
Brominated disinfection byproducts (Br-DBPs), formed from the reaction of disinfectant(s) with natural organic matter in the presence of bromide in raw water, are generally more cytotoxic and genotoxic than their chlorinated analogues. To date, only a few Br-DBPs in drinking water have been identified, while a significant portion of Br-DBPs in drinking water is still unknown. In this study, negative ion electrospray ionization ultrahigh resolution Fourier transform ion cyclotron resonance mass spectrometry (ESI FT-ICR MS) was used to characterize unknown Br-DBPs in artificial drinking water. In total, 441 formulas for one-bromine-containing products and 37 formulas for two-bromine-containing products, most of which had not been previously reported, were detected in the chlorinated sample. Most Br-DBPs have corresponding chlorine-containing analogues with identical CHO composition. In addition, on-resonance collision-induced dissociation (CID) of single ultrahigh resolved bromine containing mass peaks was performed in the ICR cell to isolate single bromine-containing components in a very complex natural organic matter spectrum and provide structure information. Relatively abundant neutral loss of CO2 was observed in MS-MS spectra, indicating that the unknown Br-DBPs are rich in carboxyl groups. The results demonstrate that the ESI FT-ICR MS method could provide valuable molecular composition and structure information on unknown Br-DBPs.
溴代消毒副产物（Br-DBPs）是在原水中存在溴化物的情况下，消毒剂与天然有机物反应形成的，其细胞毒性和遗传毒性通常比氯化类似物更强。迄今为止，饮用水中仅鉴定出少数几种 Br-DBPs，而饮用水中相当一部分 Br-DBPs 仍未被发现。在本研究中，采用负离子电喷雾电离超高分辨率傅里叶变换离子回旋共振质谱（ESI FT-ICR MS）来表征人工饮用水中的未知 Br-DBPs。在氯化样品中，共检测到 441 种一溴化产物的公式和 37 种二溴化产物的公式，其中大多数以前未曾报道过。大多数 Br-DBPs 都有与其相同 CHO 组成的相应含氯类似物。此外，在 ICR 池中对单个超高分辨含溴质量峰进行共振碰撞诱导解离（CID），可在非常复杂的天然有机物谱中分离出单个含溴成分，并提供结构信息。在 MS-MS 谱中观察到相对丰富的 CO2 中性丢失，表明未知 Br-DBPs 富含羧基。结果表明，ESI FT-ICR MS 方法可以为未知 Br-DBPs 提供有价值的分子组成和结构信息。
