Chemical Features for: Examining Chemical Space Coverage of Solid Phase Extraction Methods in Environmental Water for Use with Non-Targeted Analysis Methods
A full list of non-targeted chemical features found in the study "Examining Chemical Space Coverage of Solid Phase Extraction Methods in Environmental Water for Use with Non-Targeted Analysis Methods." Including all chemical features detected by any of the four included solid phase extraction methods in February 2025 surface water across both ionization modes. Chemical identification candidates can be explored in GitHub with interactive scatterplots (https://alexchao32.github.io/SPE-Coverage-INTA-Visuals-ScatterPlot/) and bar chart visuals (https://alexchao32.github.io/SPE-Coverage-INTA-Visuals-BarCharts/).
This dataset is associated with the following publication:
Brunelle, L., E. Stebel, A. Batt, A. Chao, and T. Ferland. Examining Chemical Space Coverage of Solid Phase Extraction Methods in Environmental Water for Use with LC-MS Non-Targeted Analysis Methods. SCIENCE OF THE TOTAL ENVIRONMENT. Elsevier BV, AMSTERDAM, NETHERLANDS, 1002: 180606, (2025).
Complete Metadata
| accessLevel | public |
|---|---|
| bureauCode |
[
"020:00"
]
|
| contactPoint |
{
"fn": "Angela Batt",
"hasEmail": "mailto:batt.angela@epa.gov"
}
|
| description | A full list of non-targeted chemical features found in the study "Examining Chemical Space Coverage of Solid Phase Extraction Methods in Environmental Water for Use with Non-Targeted Analysis Methods." Including all chemical features detected by any of the four included solid phase extraction methods in February 2025 surface water across both ionization modes. Chemical identification candidates can be explored in GitHub with interactive scatterplots (https://alexchao32.github.io/SPE-Coverage-INTA-Visuals-ScatterPlot/) and bar chart visuals (https://alexchao32.github.io/SPE-Coverage-INTA-Visuals-BarCharts/). This dataset is associated with the following publication: Brunelle, L., E. Stebel, A. Batt, A. Chao, and T. Ferland. Examining Chemical Space Coverage of Solid Phase Extraction Methods in Environmental Water for Use with LC-MS Non-Targeted Analysis Methods. SCIENCE OF THE TOTAL ENVIRONMENT. Elsevier BV, AMSTERDAM, NETHERLANDS, 1002: 180606, (2025). |
| distribution |
[
{
"title": "February2025-SPE_NonTargeted_ChemicalFeatures_Metadata.xlsx",
"mediaType": "application/vnd.openxmlformats-officedocument.spreadsheetml.sheet",
"downloadURL": "https://pasteur.epa.gov/uploads/10.23719/1532357/February2025-SPE_NonTargeted_ChemicalFeatures_Metadata.xlsx"
}
]
|
| identifier | https://doi.org/10.23719/1532357 |
| keyword |
[
"Emerging Contaminants",
"PFAS",
"non-targeted analysis",
"water quality"
]
|
| license | https://pasteur.epa.gov/license/sciencehub-license.html |
| modified | 2025-06-10 |
| programCode |
[
"020:000"
]
|
| publisher |
{
"name": "U.S. EPA Office of Research and Development (ORD)",
"subOrganizationOf": {
"name": "U.S. Environmental Protection Agency",
"subOrganizationOf": {
"name": "U.S. Government"
}
}
}
|
| references |
[
"https://doi.org/10.1016/j.scitotenv.2025.180606"
]
|
| rights |
null
|
| title | Chemical Features for: Examining Chemical Space Coverage of Solid Phase Extraction Methods in Environmental Water for Use with Non-Targeted Analysis Methods |
