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题名: Structure prediction of methyoxy-polybrominated diphenyl ethers (MeO-PBDEs) through GC-MS analysis of their corresponding PBDEs
作者: Yu, Miao; Liu, Jiyan; Wang, Thanh; Zhang, Aiqian; Wang, Yawei; Zhou, Qunfang; Jiang, Guibin
刊名: TALANTA
出版日期: 2016-05-15
卷号: 152, 期号:0, 页码:9-14
关键词: PBDEs ; MeO-PBDEs ; Structure identification ; Metabolism ; GC-MS
DOI: 10.1016/j.talanta.2016.01.047
部门归属: 环境化学与生态毒理学国家重点实验室
英文摘要: It is hard to quantify the trace pollutants in the environment without the corresponding reference standards. Structure identifications of unknown organic pollutants are thus of great importance in environmental analysis. As for polybrominated diphenyl ethers (PBDE) with one substituent of methoxyl group, there are 837 congeners, but only 32 standards are commercially available. In this work, an effective method based on gas chromatography coupled with mass spectrometry (GC-MS) was proposed to predict the potential structures of methoxylated polybrominated diphenyl ethers (MeO-PBDEs). The mass fragmentation pattern using SIM mode not only provided the useful information on the substitution position of methoxyl group, the number of Br atoms, but also guaranteed the high sensitivity for trace analysis. Br distribution patterns of the unknown MeO-PBDEs were revealed by a linear regression model with dummy variables which described the retention time relationship between MeO-PBDEs and the corresponding PBDEs on different types of GC columns. This method was successfully used to identify three new MeO-PBDEs metabolites of BDE-28 as 4-MeO-BDE-22, 4'-MeO-BDE-25 and 4-MeO-BDE-31 in the pumpkins. Therefore, the newly developed structure prediction model based on GC-MS behavior is helpful in the evaluation of unknown PBDE metabolites in the environment. (C) 2016 Elsevier B.V. All rights reserved.
收录类别: SCI
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内容类型: 期刊论文
URI标识: http://ir.rcees.ac.cn/handle/311016/35953
Appears in Collections:环境化学与生态毒理学国家重点实验室_期刊论文

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