Nontargeted Identification of an -Heterocyclic Compound in Source Water and Wastewater as a Precursor of Multiple Nitrosamines.

-Nitrosamine disinfection byproducts (DBPs) are a health concern because they are probable human carcinogens. Complex organic nitrogenous compounds, nitrosamine precursors, are largely unidentified in source water. Using stable isotopic labeling-enhanced nontargeted analysis, we identified a natural product -heterocyclic amine 1-methyl-1,2,3,4-tetrahydro-β-carboline-3-carboxylic acid (MTCCA) in source water. Interestingly, we discovered that chloramination of MTCCA-containing water could produce four nitrosamines: methylethylnitrosamine, -nitrosopyrrolidine, -nitrosoanatabine, and -nitrosoanabasine. Computational modeling and experimental results helped explain potential pathways of nitrosamines generated from chloramination of MTCCA. Further investigations confirmed widespread occurrence of MTCCA in source water and wastewater. Its concentration ranged from high in upstream creeks (23.2-332.2 ng L) to low in the river (5.7-37.6 ng L) during the 2020 spring runoffs, indicating that sources of MTCCA came from creeks around farms. Analysis of wastewater before and after ultraviolet, as well as microfiltration with subsequent ozonation treatments, showed increased MTCCA after treatments, demonstrating a difficulty to degrade and remove MTCCA in water. This study discovered the extensive presence of MTCCA in source water and wastewater, suggesting that natural -heterocyclic compounds may serve as a new source of nitrosamine precursors.