Emerging contaminants are a diverse group of non-regulated micropollutants such as pharmaceuticals and personal care products (PPCPs), pesticides, endocrine disrupting compounds (EDCs), etc. It has been detected at trace levels in various environmental samples such as surface water, soil, sediment, and aquatic biota. The occurrence of micropollutants in environmental samples can negatively impact the health of the ecosystem and humans. The objective of this study is to determine the target micropollutants and to identify unknown micropollutants in surface water.
We categorized 94 organic micropollutants containing PPCPs, pesticides, and industrial chemicals for target analysis. An liquid chromatography-tandem mass spectrometric (LC-MS-MS) method was developed for rapid simultaneous determining of 94 organic micropollutants. The method was validated in terms of linearity, limit of detection (LOD), limit of quantitation (LOQ), accuracy, and precision. The adequate values were obtained. The concentrations of 94 compounds were determined in surface water and 72 compounds were detected at trace levels, ranging from ng/L to μg/L.
Also, non-target screening method was established using LC-orbitrap MS and Compound Discoverer software provided by Thermo Scientific to identify unknown micropollutants in surface water. The detected compounds were estimated by matching MS spectrum (full scan/ddMS2) and with chemical structure or MS database such as ChemSpider, mzCloud, and mzVault. We finally identified 14 compounds in surface water samples by applying peak area of 1.0E6 or more, and matching with in silico fragment ion search. It is needed to confirm the compounds by qualitative and quantitative analysis using reference standard materials.
It will be used to list the priority compounds for the management of hazardous chemicals by target and non-target analysis.