Non-Target Chemical Features for: De facto water reuse: Investigating the chemical space coverage of multiple chromatographic and ionization methods using non-targeted analysis on surface water and drinking water collected using passive sampling

The associated manuscript reports the results of a repeated sampling of a watershed, including surface water and drinking water, that were analyzed with multiple non-targeted analysis (NTA) methods. About 130 chemicals were tentatively identified in the environmental samples, with no concentrations being reported with the non-targeted analysis. The results of this manuscript provide users of NTA with important information on which types of chromatography and ionization methods can be used to detect different classes of environmental contaminants, including PFAS, pesticides, surfactants, and pharmaceuticals. The metadata published here includes a list of all unidentified chemical features detected by each non-target method tested.

This dataset is associated with the following publication: Batt, A., L. Brunelle, N. Quinete, E. Stebel, B. Ng, P. Gardinali, A. Chao, A. Huba, S. Glassmeyer, D. Alvarez, D. Kolpin, E. Furlong, and M. Mills. Investigating the chemical space coverage of multiple chromatographic and ionization methods using non-targeted analysis on surface and drinking water collected using passive sampling. SCIENCE OF THE TOTAL ENVIRONMENT. Elsevier BV, AMSTERDAM, NETHERLANDS, 955: 176922, (2024).

Data and Resources

Field Value
accessLevel public
bureauCode {020:00}
catalog_conformsTo https://project-open-data.cio.gov/v1.1/schema
identifier https://doi.org/10.23719/1531660
license https://pasteur.epa.gov/license/sciencehub-license.html
modified 2024-07-22
programCode {020:000}
publisher U.S. EPA Office of Research and Development (ORD)
publisher_hierarchy U.S. Government > U.S. Environmental Protection Agency > U.S. EPA Office of Research and Development (ORD)
references {https://doi.org/10.1016/j.scitotenv.2024.176922}
resource-type Dataset
source_datajson_identifier true
source_hash aa3e94750bb1fb1933fd0a83c298be5d59621130449b919b492332802bce549b
source_schema_version 1.1
Groups
  • AmeriGEOSS
  • National Provider
  • North America
Tags
  • AmeriGEO
  • AmeriGEOSS
  • CKAN
  • GEO
  • GEOSS
  • National
  • North America
  • United States
  • chemicals-of-emerging-concern
  • drinking-water-contaminants
  • mass-spectrometry
  • water-quality
isopen False
license_id other-license-specified
license_title other-license-specified
maintainer Angela Batt
maintainer_email batt.angela@epa.gov
metadata_created 2025-09-24T02:24:48.785272
metadata_modified 2025-09-24T02:24:48.785281
notes The associated manuscript reports the results of a repeated sampling of a watershed, including surface water and drinking water, that were analyzed with multiple non-targeted analysis (NTA) methods. About 130 chemicals were tentatively identified in the environmental samples, with no concentrations being reported with the non-targeted analysis. The results of this manuscript provide users of NTA with important information on which types of chromatography and ionization methods can be used to detect different classes of environmental contaminants, including PFAS, pesticides, surfactants, and pharmaceuticals. The metadata published here includes a list of all unidentified chemical features detected by each non-target method tested. This dataset is associated with the following publication: Batt, A., L. Brunelle, N. Quinete, E. Stebel, B. Ng, P. Gardinali, A. Chao, A. Huba, S. Glassmeyer, D. Alvarez, D. Kolpin, E. Furlong, and M. Mills. Investigating the chemical space coverage of multiple chromatographic and ionization methods using non-targeted analysis on surface and drinking water collected using passive sampling. SCIENCE OF THE TOTAL ENVIRONMENT. Elsevier BV, AMSTERDAM, NETHERLANDS, 955: 176922, (2024).
num_resources 1
num_tags 12
title Non-Target Chemical Features for: De facto water reuse: Investigating the chemical space coverage of multiple chromatographic and ionization methods using non-targeted analysis on surface water and drinking water collected using passive sampling