全二维气相色谱-飞行时间质谱(GC×GC-TOFMS)非靶向筛 查水源地中微量有机污染物  

Non-targeted screening of trace organic pollutants in source water by GC×GC-TOFMS

作　　者：张博超 章丽萍[1] 王大伟 王艳 董慧峪[2] 强志民[2] ZHANG Bochao;ZHANG Liping;WANG Dawei;WANG Yan;DONG Huiyu;QIANG Zhimin(School of Chemical and Environmental Engineering,China University of Mining and Technology(Beijing),Beijing,100083,China;Key Laboratory of Drinking Water Science and Technology,Research Center for Eco-Environmental Sciences,Chinese Academy of Sciences,Beijing,100085,China;University of Chinese Academy of Sciences,School of Emergency Management Science and Engineering,Beijing,101499,China;Fuyang Normal University,Fuyang,236037,China)

机构地区：[1]中国矿业大学(北京)化学与环境工程学院,北京100083 [2]中国科学院生态环境研究中心饮用水科学与技术重点实验室,北京100085 [3]中国科学院大学应急管理科学与工程学院,北京101499 [4]阜阳师范大学,阜阳236037

出　　处：《环境化学》2023年第4期1109-1117,共9页Environmental Chemistry

基　　金：国家自然科学基金(51878648,52070184,52270012);国家重点研发计划(2021YFC3200904);阜阳市科技专项(SXHZ202010)资助。

摘　　要：全二维气相色谱-飞行时间质谱联用技术(GC×GC-TOFMS)由于其检测限低、分离效果好等优势已广泛应用于环境领域研究中.通过使用此技术对我国东南地区水库中有机微污染物进行非靶向定性筛查,在2个水体样本中分别检测出1780、1861个质谱峰,通过谱库匹配,分别匹配到958、961个化合物,其中与谱库保留时间指数偏差在±10%以内的物质185、177种,±2%以内的物质114、117种,通过对保留时间指数进行控制,提升了非靶向识别的准确性.全部5个采样点中保留指数偏差在±10%以内共识别出255种有机物,包括脂肪族化合物115种、芳香族化合物96种、脂环族化合物44种;元素组成为CH和CHO的化合物占比83.33%—89.73%,占检出物质的绝大多数.全二维气相色谱-飞行时间质谱技术能够准确地定性筛查出环境水体中大量未知有机微污染物,为识别水质特征提供重要依据.Comprehensive two-dimensional gas chromatography coupled to time-of-flight mass spectrometry(GC×GC-TOFMS)has been widely used in environmental research due to its advantages of low detection limit and good separation effect.By using this technique,non-targeted qualitative screening of trace organic pollutants in reservoir water in Southeast China were conducted in this study and 1780,1861 peaks were detected in 2 water samples.958,961 substance results were matched through mass spectral library matching,among which 185,177 substances deviated from the mass spectral library retention index within±10%,and 114,117 within±2%.By controlling the retention time index,the accuracy of non-targeted recognition is improved.255 organic compounds,including 115 aliphatic compounds,96 aromatic compounds and 44 alicyclic compounds,were identified with the retention index deviation within±10%at all 5 sampling sites.Compounds composed of CH and CHO accounted for 83.33%—89.73%,accounting for the majority of detected substances.Comprehensive two-dimensional gas chromatography coupled to time-of-flight mass spectrometry can accurately and qualitatively screen a large number of unknown organic micropollutants in environmental water,providing an important basis for identifying water quality characteristics.

关 键 词：全二维气相色谱-飞行时间质谱 有机组分 非靶向分析 水源 

分 类 号：X832[环境科学与工程—环境工程]