To Swim or Not to Swim, Part II: Using High Resolution MS and GCxGC to Uncover Even MORE Unknown Chemicals
Dr. Susan D. Richardson
Wednesday, June 22, 2016
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Chapters
Introduction
Environmental Science & Technology Paper
Pool Facts in the U.S.
Pool DBPs: What are the issues?
Source to tap to Spas and Pools
Methods
Objectives
1D Chromatogram
Extracted Ion Chromatograms
1D Chromatographic Coelution
Thermally Modulated GCxGC Schematic (2D)
GC×GC: How it works
2D Surface Plot: 2-Br Average Use Public Pool
Benefits of GCxGC for Spectral Deconvolution
2D Surface Plot: 2-Br Average Use Public Pool Pt.2
Classifications with Accurate Mass Scripting
Example Script
Classifications with Scripting: Br
2
Compounds
Identify Compound Indicated by Script
Comparison across the water cycle: Br pool/spa
Leveraging Mass Defect in HRMS
IUPAC to (Cl-H) Scaled Mass Scale
Mass Defect Plots for Fingerprinting
Filtered (Cl-H) MDP for Halogenated Compounds
Drugs can be in hot tubs, too
How did different disinfectants compare?
Bromine vs. Chlorine
Spas vs. Pools
How do DBP concentrations and mutagenicity levels change from Finished -> Tap -> Pool and Spa?
Generally progressive increase in concentration of DBPs and mutagenic potencies from Finished ->Tap -> Pool and Spa
Summary
Acknowledgments
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