Proposed Abstract Title

Nontargeted screening for potentially hazardous wastewater-derived organic chemicals in aquatic ecosystems

Type of Presentation

Snapshot

Session Title

Toxics, Pollutants and Species

Location

2016SSEC

Description

Ecosystem health is often adversely impacted by urban waters. Understanding the chemical composition of water impacted by wastewater effluents, storm water runoff, and on-site sewage discharge is critical to better manage water quality through appropriate strategies. Many previous investigations targeted and reported the occurrence of trace levels of unregulated contaminants in the wastewater impacted urban streams. However, targeted characterization of chemicals only captures a small fraction of chemical suite. Application of accurate-mass quadrupole time-of-flight (QTOF) spectrometry presents an excellent platform for capturing and resolving thousands of organic chemicals in the water with high sensitivity. Here, we use liquid chromatography QTOF tandem mass spectrometry (QTOF LC-MS/MS) techniques to characterize chemical occurrence in wastewater collected from three regional wastewater treatment plants (WWTPs). The multivariate statistical analysis software Agilent Mass Profiler Professional was applied to understand the relationship of chemical profiles among studied WWTPs. Among thousands of detected chemical compounds, we are particularly interested in the candidates with high abundance and ubiquitous occurrence, implying a high potential to cause biological impacts. Meanwhile, multiple screening criteria, such as MS/MS spectra comparison, fragment screening, and mass defect screening, were also applied to organize and reduce the data of interest.

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Nontargeted screening for potentially hazardous wastewater-derived organic chemicals in aquatic ecosystems

2016SSEC

Ecosystem health is often adversely impacted by urban waters. Understanding the chemical composition of water impacted by wastewater effluents, storm water runoff, and on-site sewage discharge is critical to better manage water quality through appropriate strategies. Many previous investigations targeted and reported the occurrence of trace levels of unregulated contaminants in the wastewater impacted urban streams. However, targeted characterization of chemicals only captures a small fraction of chemical suite. Application of accurate-mass quadrupole time-of-flight (QTOF) spectrometry presents an excellent platform for capturing and resolving thousands of organic chemicals in the water with high sensitivity. Here, we use liquid chromatography QTOF tandem mass spectrometry (QTOF LC-MS/MS) techniques to characterize chemical occurrence in wastewater collected from three regional wastewater treatment plants (WWTPs). The multivariate statistical analysis software Agilent Mass Profiler Professional was applied to understand the relationship of chemical profiles among studied WWTPs. Among thousands of detected chemical compounds, we are particularly interested in the candidates with high abundance and ubiquitous occurrence, implying a high potential to cause biological impacts. Meanwhile, multiple screening criteria, such as MS/MS spectra comparison, fragment screening, and mass defect screening, were also applied to organize and reduce the data of interest.