What is it about?
The U.S. EPA’s CompTox Chemistry Dashboard is a curated and freely available resource for chemistry and computational toxicology research, containing more than 720,000 chemicals of relevance to environmental health science. In this research, the performance of the Dashboard for identifying known unknowns using mass spectrometry was evaluated against that of the online ChemSpider database. The analysis was performed using multiple previously studied datasets reported in the peer-reviewed literature totaling 162 chemicals.
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This page is a summary of: Identifying known unknowns using the US EPA’s CompTox Chemistry Dashboard, Analytical and Bioanalytical Chemistry, December 2016, Springer Science + Business Media,
DOI: 10.1007/s00216-016-0139-z.
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Resources
Environmental Chemistry Compound Identification Using High Resolution Mass Spectrometry Data Integrated to the EPA Chemistry Dashboard
A presentation given at the Eastern Analytical Symposium in Somerset, NJ in November 2016.
Structure Identification Using High Resolution Mass Spectrometry Data and the EPA’s CompTox Chemistry Dashboard
A poster presented at the EAS Meeting in November 2016
The CompTox Chemistry Dashboard: Helping researchers ID unknown contaminants
Video produced by ResearchSquare summarizing the paper.
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