Determination of emerging contaminants in wastewater utilizing comprehensive two-dimensional gas-chromatography coupled with time-of-flight mass spectrometry

• Examined wastewater from a wastewater treatment facility for emerging contaminants.
• Utilized GC × GC–TOFMS as a discovery based technique for identifying contaminants.
• Identified halotriazoles in wastewater, possible source is industrial chillers.
• Potential degradation product, phenol, found in soil/wells of drainage fields.
• ChromaTOF reference method function significantly reduced data processing time.

An analytical method for identification of emerging contaminants of concern, such as pesticides and organohalogens has been developed and utilized for true discovery-based analysis. In order to achieve the level of sensitivity and selectivity necessary for detecting compounds in complex samples, comprehensive gas chromatography coupled with time-of-flight mass spectrometry (GC × GC–TOFMS) was utilized to analyze wastewater samples obtained from the Pennsylvania State University wastewater treatment facility (WWTF). Determination of emerging contaminants through a process of combining samples which represent “normal background” and comparing this to new samples was developed. Results show the presence of halogenated benzotriazoles in wastewater samples as well as soil samples from Pennsylvania State University agricultural fields. The trace levels of chlorinated benzotriazoles observed in the monitoring wells present on the property indicate likely environmental degradation of the chlorinated benzotriazoles. Preliminary investigation of environmental fate of the substituted benzotriazoles indicates their likely degradation into phenol; an Environmental Protection Agency (USEPA) priority pollutant.