The improved screening and characterization of Contaminants of Emerging Concern in environmental samples with QTOF LC-MS/MS instrumentation.
Presentation Abstract
In many areas, non-point sources of contaminants transported via urban stormwater runoff presents challenges for water quality management. Elevated levels of chemicals arising from anthropogenic activities can cause acute mortality or non-lethal biological impacts on fish and other aquatic organisms. To characterize chemical stressors, a comprehensive assessment and fingerprinting is needed. We have good information on a small suite of compounds (i.e. legacy compounds and some metals, etc) but lack data on many times more. The use of high resolution mass spectrometer, e.g., the Agilent 6530 quadrupole time-of-flight liquid chromatography tandem mass spectrometer (QTOF LC-MS/MS), can capture occurrence information on a large number of compounds and begin to fill the data gaps. Furthermore, data acquisition and archiving allows the retrospective screening for new analytes without rerunning the sample.
Here, we present a non-targeted screening approach utilizing QTOF LC-MS/MS instrumentation. This technique allows the characterization of chemical occurrence in stormwater runoff, sediments, and tissues. In order to maximize the range of chemical constituents in the samples, and thus the ability for discovery and comprehensive characterization, an Infinity solid phase extraction (SPE) cartridge is used to extract, cleanup, and concentrate aqueous samples. Data acquisition is performed at 2 GHz extended dynamic range allowing for comprehensive chemical feature capture in samples. The application of advanced analytical software tools (e.g., Agilent Profinder and Mass Profiler Professional) optimizes chromatographic data alignment across samples and minimizes the false positives. The analytical approach can be applied to comparative sample profiling, targeted characterization, and non-targeted screening. Applied examples include the non-targeted evaluation of native stormwater samples and the target investigation of the occurrence of a suite of biotoxins in Puget Sound waters.
Session Title
Contaminants of Emerging Concern: Intersection of Occurrence, Impacts, Research, and Policy
Conference Track
Fate and Effects of Pollutants
Conference Name
Salish Sea Ecosystem Conference (2016 : Vancouver, B.C.)
Document Type
Event
Start Date
2016 12:00 AM
End Date
2016 12:00 AM
Location
2016SSEC
Type of Presentation
Poster
Genre/Form
conference proceedings; presentations (communicative events); posters
Contributing Repository
Digital content made available by University Archives, Heritage Resources, Western Libraries, Western Washington University.
Subjects – Topical (LCSH)
Urban runoff--Management; Water quality management; Pollutants--Analysis; Tandem mass spectrometry; Liquid chromatography
Geographic Coverage
Salish Sea (B.C. and Wash.)
Rights
This resource is displayed for educational purposes only and may be subject to U.S. and international copyright laws. For more information about rights or obtaining copies of this resource, please contact University Archives, Heritage Resources, Western Libraries, Western Washington University, Bellingham, WA 98225-9103, USA (360-650-7534; heritage.resources@wwu.edu) and refer to the collection name and identifier. Any materials cited must be attributed to the Salish Sea Ecosystem Conference Records, University Archives, Heritage Resources, Western Libraries, Western Washington University.
Type
Text
Language
English
Format
application/pdf
The improved screening and characterization of Contaminants of Emerging Concern in environmental samples with QTOF LC-MS/MS instrumentation.
2016SSEC
In many areas, non-point sources of contaminants transported via urban stormwater runoff presents challenges for water quality management. Elevated levels of chemicals arising from anthropogenic activities can cause acute mortality or non-lethal biological impacts on fish and other aquatic organisms. To characterize chemical stressors, a comprehensive assessment and fingerprinting is needed. We have good information on a small suite of compounds (i.e. legacy compounds and some metals, etc) but lack data on many times more. The use of high resolution mass spectrometer, e.g., the Agilent 6530 quadrupole time-of-flight liquid chromatography tandem mass spectrometer (QTOF LC-MS/MS), can capture occurrence information on a large number of compounds and begin to fill the data gaps. Furthermore, data acquisition and archiving allows the retrospective screening for new analytes without rerunning the sample.
Here, we present a non-targeted screening approach utilizing QTOF LC-MS/MS instrumentation. This technique allows the characterization of chemical occurrence in stormwater runoff, sediments, and tissues. In order to maximize the range of chemical constituents in the samples, and thus the ability for discovery and comprehensive characterization, an Infinity solid phase extraction (SPE) cartridge is used to extract, cleanup, and concentrate aqueous samples. Data acquisition is performed at 2 GHz extended dynamic range allowing for comprehensive chemical feature capture in samples. The application of advanced analytical software tools (e.g., Agilent Profinder and Mass Profiler Professional) optimizes chromatographic data alignment across samples and minimizes the false positives. The analytical approach can be applied to comparative sample profiling, targeted characterization, and non-targeted screening. Applied examples include the non-targeted evaluation of native stormwater samples and the target investigation of the occurrence of a suite of biotoxins in Puget Sound waters.
