Non-targeted screening and analysis of volatile organic compounds in drinking water by DLLME with GC-MS

Volatile organic compounds (VOCs) in drinking water may potentially be hazardous. We developed a novel non-targeted analysis method of VOCs in drinking water that uses dispersive liquid-liquid microextraction coupled with gas chromatography-mass spectrometry. Analysis parameters were selected from range-finding tests on the peak number and average area of the extracted compounds. The optimized method was applied to analyze VOCs in tap water samples collected from Wuhan City, China. Twenty-seven compounds with high match degrees and a high prevalence were selected for quantification and evaluation. We used structure-activity relationships to predict the carcinogenicity of these compounds. Although most of the compounds were non-toxic, compounds such as dibutyl phthalate and diacetone alcohol should be investigated further. Untargeted analysis of the tap water samples identified 75-200 VOCs, including 67 highly prevalent compounds. Industrial and pharmaceutical chemicals accounted for approximately 70% of the VOCs in the samples. This method of non-targeted analysis and in silico toxicity prediction is simple and economic, and could be used in screening VOCs in drinking water.