Unraveling the chemodiversity of halogenated disinfection by-products formed during drinking water treatment using target and non-target screening tools

To date, there is no analytical approach available that allows the full identification and characterization of highly complex disinfection by-product (DBP) mixtures. This study aimed at investigating chemodiversity drinking water halogenated DBPs using diverse tools: measurement adsorbable organic halogen (AOX) mass spectrometry (MS)-based target non-target workflows. Water was sampled before after chemical (chlorine or chloramine) four treatment plants in Sweden. The analysis had highest sensitivity, although it could only partially explain AOX formed disinfected waters. Non-target Fourier transform ion cyclotron resonance (FT-ICR) MS indicated up to 19 Cl and/or Br-CHO formulae were common all Unexpectedly, a high diversity (presumed polyphenolic unsaturated compounds) found chloraminated surface water, comparable chlorinated water. Overall, 86 (including isobaric species) tentatively identified liquid chromatography (LC)-Orbitrap MS. Although further work needed confirm their identity assess relevance terms toxicity, they can be used design suspect lists improve