Targeted and suspect screening of contaminants in coastal water and sediment samples in Qatar

Abstract

In recent years, high resolution mass spectrometry (HRMS) combined with separation techniques has allowed comprehensive analysis of contaminants of emerging concern (CECs) as well as their metabolites and transformation products in various environmental samples via retrospective screening. However, to date, only a few suspect or non-targeted studies on the occurrence of CECs in marine aquatic system are reported. In this study, two methods, based on direct injection for seawater, or ultrasound-assisted extraction for sediments, followed by LC-Q-TOF-MS analysis were developed and applied for the simultaneous targeted and screening of contaminants in coastal samples (seawater, particulates and sediment) from Qatar collected in 2017–2018. Among the twenty-one target analytes (pesticides, PPCPs and a plasticizer), two compounds only were detected in seawater. Caffeine was detected in seawater samples at all sampling sites, and cotinine was detected in seawater samples collected in Umm Bab in 2018 and seawaters receiving stormwater. Traces of trimethoprim and carbamazepine were detected in sediment samples collected at four sites in 2017. These results suggest some inputs of domestic wastewater in the coastal waters in Qatar. In total, twelve molecular features were tentatively identified from suspect screening at concentration levels significantly higher than that in procedure blanks. The presence of four plasticizers and one pesticide were further confirmed using reference standards: diethyl phthalate (DEP), dibutyl phthalate (DBP), and tributyl phosphate (TBP) in seawater samples; bis(2-ethylhexyl) phthalate (DEHP) in sediment and particulate samples; and dinoterb in seawater after storm event and particulate samples. Overall, this study demonstrated the potential of high resolution LC-Q-TOF-MS/MS for combined targeted and non-targeted analyses of trace contaminants in marine systems over a broad range of log P values.