关键词: 高分辨质谱, 非靶向筛查, 有机污染物

Abstract: Non-target analysis of surface water, soil and sediment samples from the Yangtze and Wujiang rivers at Fuling City was conducted with ultra-high performance liquid chromatography-quadrupole/electrostatic field orbitrap high resolution mass spectrometry combined with Compound Discoverer (v. 3.0) software. Accurate screening and pollution-level assessment of 14 organic pollutants in the region were conducted through a quantitative analysis of environmental pollutants with high detection frequency and exposure risk. The water samples were extracted by solid phase extraction (HLB column) while the soil and sediment samples were ultrasonically extracted with acetonitrile. The treated samples were separated by a Hypersil Gold C18 column (50 mm×2.1 mm×1.9 μm) and eluted with 0.1% aqueous formic acid solution and acetonitrile. The detection and analysis were performed separately with electrospray ionization, and in Full MS/ddMS2 + Discovery monitoring mode, positive ion mode and negative ion mode. In total, 137 organic pollutants were identified in the samples after full-scan non-targeted screening. The pollutants could be divided into pesticides, pharmaceutical and personal care products, and plastic additives. Of these, 14 pollutants with high concentration and detection frequency were chosen for quantitative analysis in various environmental media. The water samples contained 12 types of pollutants with concentrations ranging from non-detectable to 286 ng·L^-1. The soil and sediment samples contained eight pollutant types, ranging from non-detectable to 30.9 ng·g^-1. Six pollutants were present in all water, soil and sediment samples. This study demonstrates a rapid and efficient high-throughput technology to determine unknown environmental pollutants. The results of this research are significantly helpful for rapid screening of highly exposed organic pollutants in the environment.

Key words: highresolution mass spectrometry, non-targeted screening, organic pollutants