液相色谱-串联质谱前驱离子扫描非靶向筛查卤代有机物  

Non-target Screening of Halogenated Organic Compounds Using Liquid Chromatography-Tandem Mass Spectrometry Precursor Ion Scan

作　　者：王昆[1] 黄新文 林坤德[1] WANG Kun;HUANG Xin-Wen;LIN Kun-De(The Fujian Provincial Key Laboratory for Coastal Ecology and Environmental Studies, Center for Marine Environmental Chemistry and Toxicology, College of the Environment and Ecology,Xiamen University,Xiamen 361102,China;College of Environment,Zhejiang University of Technology,Hangzhou 310014,China)

机构地区：[1]厦门大学,福建省海陆界面生态环境重点实验室,近海环境化学与毒理研究中心,环境与生态学院,厦门361102 [2]浙江工业大学环境学院,杭州310014

出　　处：《分析化学》2018年第11期1821-1828,共8页Chinese Journal of Analytical Chemistry

基　　金：国家自然科学基金项目(Nos.21477115,21876142)资助。

摘　　要：建立了液相色谱-串联质谱(LC-MS/MS)前驱离子扫描(PIS)非靶向筛查卤代有机物的分析方法。卤代有机物在PIS分析中产生的卤素碎片离子能通过PIS Q3预设的质核比通道(m/z 35、37、79、81和127),根据通过的质核比通道可判断卤代有机物种类,并获取其分子离子质核比信息,而非卤代有机物无法通过PIS Q3的筛选。当Q2碰撞能为50 eV时,PIS对卤代有机物具有较高的灵敏度。利用伯努利概型总结了不同卤代有机物的理论同位素峰数量和丰度比的规律,结合PIS分析结果可判断有机物携带卤素原子数量。本方法成功应用于实验室样品和海水中卤代有机物的筛查,未来有望用于其它环境样品中卤代有机物的快速筛检。A new analytical method based on liquid chromatography-tandem mass spectrometry(LC-MS/MS)precursor ion scan(PIS)was developed for the non-target screening of halogenated organic compounds(HOCs).Briefly,fragmented halogen ions from the precursor of HOCs could pass Q3 channels fixing at m/z 35,37,79,81 and 127,and the corresponding precursors were simultaneously recorded in Q1.Therefore,the halogenated species and molecular ions of HOCs could be inferred from the selection of Q3 and Q1.Results showed that PIS had a higher sensitivity to HOCs when the collision energy in Q2 was set at 50 eV.Bernoulli experiment models were used to calculate theoretical isotopic abundances of HOCs.This method was successfully applied to the screening of HOCs in laboratory reaction samples and seawater.This work suggested that PIS was potentially an effective tool for the non-target screening of HOCs in various environmental matrices.

关 键 词：液相色谱-串联质谱 前驱离子扫描 卤代有机物 同位素丰度比 

分 类 号：O657.63[理学—分析化学]