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Updated: Apr 28, 2026

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Analysis strategy of contamination source using chemical fingerprint information based on GC-HRMS: A case study of
Qian Zhang1, Ninghui Song2, Hang Xu3
1College of Environment, Ministry of Education Key Laboratory of Integrated Regulation and Resource Development on Shallow Lakes, Hohai University, Nanjing 210098, PR China.; Nanjing Institute of Environmental Sciences, Ministry of Ecology and Environment, Nanjing 210042, PR China.; Suzhou Research Institute, Hohai University, Suzhou 215100, PR China.
Abstract:
With the increasing prevalence of emerging contaminants (ECs) in the environment, gaining a deeper understanding of the chemical information pertaining to the contamination source is a crucial step toward effective prevention and control of these ECs. This study presents a novel strategy for analyzing the chemical information of contamination sources using gas chromatography-high resolution mass spectrometry (GC-HRMS) and demonstrates it on landfill leachate, a common and representative environmental contamination source. Initially, a non-targeted screening approach using HRMS was used to characterize a total of 5344 organic compounds with identification confidence levels 1 and 2 in 14 landfill leachate samples. Leveraging this as a base data set, the similarity analysis was first performed, and the classification fingerprints exhibited a pronounced level of similarity. Second, 169 characteristic marker contaminants with important and significant differences were identified in the 3 groups of landfill leachate with different solid waste compositions (mostly kitchen waste, mostly plastic & daily chemical product waste, and proportion average) by difference analysis. Finally, 101 hazardous chemicals (HCs) were screened in the data set. The results demonstrated that a class of contamination source exhibited certain common characteristics, while different groups of samples had their own distinct contamination signatures. This work offers a unique perspective on the interpretation of chemical information from contamination sources, aiming to provide a valuable reference for environmental pollution management.
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