A TURN-KEY ANALYSER SOLUTION FOR THE TARGET BASED SCREENING OF ENVIRONMENTAL WATER SAMPLES ON THE AGILENT 5977 GC/MS

Significance of the Topic

The monitoring of organic pollutants in environmental waters is critical for compliance with regulatory frameworks such as the European Water Framework Directive (WFD). The presence of volatile and semi-volatile organic compounds poses risks to ecosystems and public health. A robust, high-throughput screening method enables laboratories to detect a wide range of contaminants efficiently and cost-effectively.

Study Objectives and Overview

This work presents a turnkey solution for target-based, multi-residue screening of environmental water samples using the Agilent 5977 GC/MS system. Key objectives include:

• Developing a retention time locked screening method compliant with WFD requirements.
• Building a customizable target MS library covering over 1000 compounds, including VOCs and SVOCs.
• Ensuring rapid identification and semi-quantitative reporting of organic pollutants at low limits of detection.

Methodology

Water samples are spiked with internal standards and extracted using dichloromethane under neutral and acidic conditions. The combined extracts are concentrated, dried with anhydrous sodium sulfate, and analyzed by GC/MS. The sample extraction employs a liquid–liquid partition approach with controlled temperature and gas flow to preserve volatile analytes and maximize recovery.

Used Instrumentation

• Gas Chromatograph: Agilent 7890B with 7693A automatic injector
• Mass Spectrometer: Agilent 5977A MSD with Inert Extractor Lens
• Inlet: Cooled Multi Mode Inlet (MMI) with splitless injection
• Column: 30 m × 0.25 mm ID × 0.25 μm HP-5MS UI
• Concentration System: Zymark Turbo-Vap
• Software: MassHunter Acquisition and Quantitative, including Target Deconvolution

Main Results and Discussion

The 5977 GC/MS with extractor lens delivered enhanced sensitivity, achieving typical limits of detection near 0.1 μg/L for most targets. Target Deconvolution processed over 1000 compounds using retention time windows and library match scores, resolving co-eluting peaks automatically. Data processing time was approximately one minute per sample file. A complex landfill site water extract demonstrated the identification of 98 target compounds with high confidence and minimal interference.

Benefits and Practical Applications

• Turnkey package streamlines installation, method validation, and training for rapid deployment.
• Customizable library adapts to emerging contaminants and evolving monitoring requirements.
• Efficient data processing and automated reporting reduce laboratory workload and turnaround times.
• Semi-quantitative results support risk assessment and regulatory compliance in environmental monitoring.

Future Trends and Opportunities

The approach can be extended by incorporating new compounds into the target library as emerging pollutants are identified. Integration with advanced data analytics and cloud-based monitoring platforms may enhance real-time surveillance. Further enhancements in GC/MS instrumentation and deconvolution algorithms will continue to improve sensitivity, selectivity, and throughput.

Conclusion

The developed target-based GC/MS screening solution on the Agilent 5977 system meets WFD requirements by enabling rapid, sensitive detection of a broad spectrum of organic pollutants. Its configurable library and automated workflow offer a flexible and efficient tool for environmental water analysis.

References

• W. Civil, Target Based Screening of Environmental Water Samples using Deconvolution Reporting Software on an Agilent 5975 GC/MSD and the Creation of a New Screening Database, Agilent Technologies, 5991-1431EN, November 2012.
• The Target MS Library, National Laboratory Service, www.natlabs.co.uk