基于HRMS的海河地表水有机污染物的非靶标筛查及生态风险评估  

Nontarget screening and risk assessment of organic pollutants in surface water of Hai River based on high resolution mass spectrometry

作　　者：穆哓茜 曹艺璇 吕琛山 王涛[1,2,3] 崔海燕 陈中兵 邹红艳 尉志文 贾娟[1,2,3] 苑仔薇 黄博[1,2,3] 周航 贠克明 胡萌[1,2,3] Mu Xiaoxi;Cao Yixuan;Lv Chenshan;Wang Tao;Cui Haiyan;Chen Zhongbing;zou ongyan;Wei Zhiwen;Ja Juan;Yuan Ziei;Huang Bo;Zhou Hang;Yun Keming;Hu Meng(Shanxi Medical University,Jinzhong Shanxi China,030600;Key Laboratory of forensic Medicine in Shanxi Province,Jinzhong Shanxi China,030600;Key Laboratory of Forensic Toxicology of Ministry of Public Security,Jinzhong Shanxi China,030600;Tianjin Key Laboratory of Water Resources and Environment,Tianjin Normal University,Tianjin300387)

机构地区：[1]山西医科大学,山西晋中030600 [2]法医学山西省重点实验室,山西晋中030600 [3]法庭毒物分析公安部重点实验室,山西晋中030600 [4]天津师范大学水资源与环境重点实验室,天津300387

出　　处：《中国法医学杂志》2023年第5期547-552,共6页Chinese Journal of Forensic Medicine

基　　金：国家自然科学基金项目(21806095,21906118,82130056和82072116)。

摘　　要：目的 基于高分辨质谱分析方法和非靶标筛查策略,采用高效液相色谱四极杆飞行时间串联质谱技术识别海河地表水中潜在的有机污染物并对其进行生态风险评估。方法 利用精确质量数和二级质谱碎片信息与开源液相色谱质谱库匹配检索、识别等非靶标数据分析方法,最终与标准品色谱保留时间和质谱信息比对确认,用内标法进行定量。通过计算危险熵,结合水环境中有机污染物的浓度,对其进行生态风险评估。结果 共识别出52个有机污染物,其中有39个经过标准品验证,包括16种药物、8种农药、9种工业化合物、3种个人护理产品和3种食品添加剂。计算出24种有机污染物的危险熵值,选出9种有机污染物作为海河的优先污染物。结论 海河地表水中有机污染物的分布特征与地点和周围环境有关,并未检测到有机物的危险熵值高于1,这表明检出物质对水生生物风险较低。Objective Based on high-resolution mass spectrometry and nontarget screening strategy,the potential organic pollutants in surface water of Hai River were analyzed by high performance liquid chromatography quadrupole time-of-flight mass spectrometry(HPLC-Q-TOF-MS),and their ecological risk were assessed.Methods Matching retrieval and identification were performed with an open-source mass spectra library according to the accurate mass and tandem MS fragmentation information.The results were compared with the chromatographic retention time and mass spectrometry information of chemical standards for confirmation.and an internal standard method was used for quantification.The ecological risk assessment of organic pollutants was performed according to the calculation of the hazard quotient and the concentration of organic pollutants in the environment.Results A total of 52 organic pollutants were identified,of which 39 organic pollutants were confirmed by standards,including 16 pharmaceuticals,8 pesticides,9 industrial compounds,3 personal care products and 3 food additives.The hazard quotient of 24 organic pollutants were calculated,and 9 organic pollutants were selected as the preferred pollutants in Hai River.Conclusion The distribution characteristics of organic pollutants in the surface water of Hai River were related to the location and the surrounding environment.The hazard quotient of the detected pollutants was not higher than 1,which indicated that the risk of these substances to the aquatic life was low.

关 键 词：有机污染物 非靶标筛查 高分辨质谱 高通量筛选 风险评估 

分 类 号：D918.93[政治法律—法学]