Feature-based molecular networking for identification of organic micropollutants including metabolites by non-target analysis applied to riverbank filtration.

ABSTRACT: Due to growing concern about organic micropollutants and their transformation products (TP) in surface and drinking water, reliable identification of unknowns is required. Here, we demonstrate how non-target liquid chromatography (LC)-high-resolution tandem mass spectrometry (MS/MS) and the feature-based molecular networking (FBMN) workflow provide insight into water samples from four riverbank filtration sites with different redox conditions. First, FBMN prioritized and connected drinking water relevant and seasonally dependent compounds based on a modification-aware MS/MS cosine similarity. Within the resulting molecular networks, forty-three compounds were annotated. Here, carbamazepine, sartans, and their respective TP were investigated exemplarily. With chromatographic information and

SUBMITTER: Oberleitner D 

PROVIDER: S-EPMC8405475 | biostudies-literature | 2021 Sep

REPOSITORIES: biostudies-literature