LC-HRMS非靶标筛查8个地表水样品中有机污染物  

Nontarget detection of organic pollutants in 8 surface water samples by liquid chromatography coupled with high resolution mass spectrometry

作　　者：胡萌 吕琛山 穆哓茜 曹艺璇 王涛[1,2] 崔海燕 陈佳晖 贾娟 尉志文[1,2] 郭中元 贠克明[1,2] Hu Meng;Lv Chenshan;Mu Xiaoxi;Cao Yixuan;Wang Tao;Cui Haiyan;Chen Jiahui;Jia Juan;Wei Zhiwen;Guo Zhongyuan;Yun Keming(Shanxi Medical University,Jinzhong Shanxi China,030600;Key Laboratory of Forensic Toxicology of Ministry of Public Security,Jinzhong Shanxi China,030600)

机构地区：[1]山西医科大学,山西晋中030600 [2]法庭毒物分析公安部重点实验室,山西晋中030600

出　　处：《中国法医学杂志》2022年第2期164-168,共5页Chinese Journal of Forensic Medicine

基　　金：国家自然科学基金项目(21806095,82072116);国家重点研发计划项目(2017YFC0803504,2018YFC0807403)。

摘　　要：目的基于超高效液相色谱-四极杆-飞行时间串联质谱技术(UPLC-QTOF MS/MS),建立高分辨质谱(LC-HRMS)非靶标策略筛查地表水中潜在有机污染物的方法并应用于环境水样品中有机污染物识别。方法地表水样品经固相萃取提取后,采用0.1%甲酸溶液和甲酸甲醇溶液作为流动相在C18色谱柱上进行洗脱。分别采用全扫描模式和非信息依赖数据采集模式对质谱全信息进行采集。对获得的精确质量数和二级碎片信息进行质谱峰识别、谱库检索等非靶标数据分析,最终经过与标准品色谱保留时间和质谱信息比对确认污染物。结果共检出37种有机污染物,包括18种药物、9种工业用品、6种农药、2种代谢产物、1种个人护理产品及1种食品添加剂,其中苯并三唑、安替比林、莠去津等检出率高于75%。污染物浓度为1.3~1179.06ng/L,平均浓度较高物质为苯并三唑、多菌灵、4-雄甾烯-3,17-二酮。且污染物分布特征与周边产业与排污情况相关。结论本研究建立的LC-HRMS非靶标筛查方法能够在无先验信息的情况下为高通量识别地表水样品中的有机污染物提供有效的技术手段,亦可应用于污水及饮用水等水基质样品中的污染物及毒物排查。Objective To establish an approach based on a nontarget screening strategy of LC-HRMS to identify potential organic pollutants in surface water by UPLC-QTOF MS/MS.And to apply this high-throughput screening method to examine the pollutants in several surface water samples.Methods The surface water samples taken from different rivers were extracted following the solid phase extraction procedures and then were analyzed using a UPLC-QTOF MS instrument.A C18 column was used for LC separation and a gradient elution was carried out with water and methanol both containing 0.1%of formic acid.Full scan and the data-independent-analysis(DIA)modes were performed for MS information acquirement.The obtained accurate mass and MS/MS spectra information was used for peak detection and spectral database comparison as the nontarget screening procedures.The pollutants were finally confirmed by comparing LC retention time and mass spectral with standard compounds.Results In the end,a total of 37 organic pollutants had been identified,including 18 pharmaceuticals,9 industrial compounds,6 pesticides,2 metabolites,1 personal care product and 1 food addictive.The detection rates of 1H-benzotriazole,phenazone and atrazine were more than 75%.The concentrations of all compounds were ranged from 1.3 to 1179.06 ng/L and the mean concentrations of 1H-benzotriazole,carbendazim and 4-androstene-3,17-dione were relatively high.In addition,the pollutant composition was consistent with the surrounding sewage discharge.Conclusion We provided a high throughput LC-HRMS approach for nontarget detection of organic pollutants in the surface water samples without priorknowledge,and this method could also be applied for detecting pollutants and toxicants in wastewater,drinking water and other water matrix samples.

关 键 词：地表水样品 有机污染物 液相色谱串联高分辨质谱 非靶标筛查 

分 类 号：R349.69[医药卫生—基础医学]