Surface water contains a large number of potential pollutants and their transformation products, which cannot be discovered by normal target analysis alone. To detect site-specific and unknown contaminants in the environment, we established an integral analytical strategy based on liquid chromatography-high resolution mass spectrometry (LC-HRMS) combined with data processing using specific software (Compound Discoverer 3.0). In this case study of Dianshan Lake, 95 potential contaminants were tentatively identified and ranked by the scoring system. Then, the 95 compounds were categorized into 4 subgroups: pesticides, drugs, plastic additives and surfactants. To determine the sources and distribution of those pollutants, 4 heat maps were developed based on the sum of peak areas of respective categories. In addition, 19 substances with high exposure risk among the 95 compounds tentatively identified were confirmed and quantified. In the present study, the analytical strategy with non-target screening followed by target analysis demonstrated that pesticides and plastic additives are the two dominant types of contaminants in Dianshan Lake. High accuracy and high-resolution data combined with integrated software provided abundant information for the identification of a wide range of potential contaminants in the environment. This approach can be a useful tool for the simple and rapid screening and tentative detection of site-specific contaminants.
Keywords: Non-target screening; Orbitrap; Organic pollutants; Surface water.
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