-
Federal
Per- and polyfluoroalkyl substances (PFAS) Interferents List
National Institute of Standards and Technology —
A table of known interferences for per- and polyfluoroalkyl substances using mass spectrometry. -
Federal
Revisiting Five Years of CASMI Contests with EPA Identification Tool
U.S. Environmental Protection Agency —
An investigation was performed on each of the individual CASMI datasets to identify whether the chemicals were present in DSSTox, the database underlying the... -
Federal
Environmental Fate of Cl-PFPECAs: Predicting the Formation of PFAS Transformation Products in New Jersey Soils
U.S. Environmental Protection Agency —
This file contains data from estimated chloro perfluoro polyether carboxylate (Cl-PFPECA) transformation products in soil samples collected in New Jersey by New... -
Federal
Demonstrating the Use of Non-targeted Analysis for Identification of Unknown Chemicals in Rapid Response Scenarios
U.S. Environmental Protection Agency —
John T. Sloop, Alex Chao, Jennifer Gundersen, Allison L. Phillips, Jon R. Sobus, Elin M. Ulrich, Antony J. Williams, and Seth R. Newton, Environmental Science &... -
Federal
Untargeted MS-based Monitoring of Glucuronides in Fish
U.S. Environmental Protection Agency —
Prioritization of environmental contaminants can be aided by detecting glucuronidated biotransformation products in fish using untargeted mass spectrometry-based... -
Federal
Examining NTA Performance and Potential Using Fortified and Reference House Dust as Part of EPA's Non-Targeted Analysis Collaborative Trial (ENTACT)
U.S. Environmental Protection Agency —
The current study focuses on the analysis of SRM 2585 extracts that were distributed as part of ENTACT. It further introduces a separate recovery experiment, using... -
Federal
Data for Suspect Screening and Non-Targeted Analysis of Drinking Water Using Point-Of-Use Filters
U.S. Environmental Protection Agency —
This dataset contains information about all the features extracted from the raw data files, the formulas that were assigned to some of these features, and the... -
Federal
High-Resolution Mass Spectrometry Data for Wastewater Samples Collected at an on-Site Separator and Storage Tank at the Marcellus Shale Energy and Environment Laboratory (MSEEL) 2015-2019, Morgantown Industrial Park (MIP), West Virginia
Department of the Interior —
The Marcellus Shale Energy and Environment Laboratory (MSEEL) is part of the Northeast Natural Energy LLC (NNE) production facility on the Monongahela River in... -
Federal
Genesis and Study Design for EPA's Non-Targeted Analysis Collaborative Trial (ENTACT)
U.S. Environmental Protection Agency —
Detection by GC and LC for ENTACT chemicals and OPERA predicted physicochemical properties for manuscript Figures 3 and 4. This dataset is associated with the... -
Federal
The NORMAN Suspect List Exchange (NORMAN-SLE): facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry
U.S. Environmental Protection Agency —
Data and code for "Mohammed Taha, H., Aalizadeh, R., Alygizakis, N. et al. The NORMAN Suspect List Exchange (NORMAN-SLE): facilitating European and worldwide... -
Federal
Suspect List of Possible Per- and Polyfluoroalkyl Substances (PFAS)
National Institute of Standards and Technology —
A list of structures (and other identifiers) of possible per- and polyfluoroalkyl substances (PFAS). The data provided in the PFAS Suspect List has been aggregated... -
Federal
Identifying Known Unknowns Using the USEPA CompTox Chemistry Dashboard AnalytBioanlytChem Data
U.S. Environmental Protection Agency —
In this research, the performance of the Dashboard for identifying “known unknowns” was evaluated against that of the online ChemSpider database, one of the primary... -
Federal
Database Infrastructure for Mass Spectrometry - Per- and Polyfluoroalkyl Substances
National Institute of Standards and Technology —
Data here contain and describe an open-source structured query language (SQLite) portable database containing high resolution mass spectrometry data (MS1 and MS2) for... -
Federal
The use of gas chromatography – high resolution mass spectrometry for suspect screening and non-targeted analysis of per- and polyfluoroalkyl substances
U.S. Environmental Protection Agency —
Data for "Jonathan S Casey, Stephen R Jackson, Jeff Ryan, Seth R Newton, The use of gas chromatography – high resolution mass spectrometry for suspect screening and... -
Federal
Results from Non-Targeted Analysis of Aqueous Film Forming Foams
U.S. Environmental Protection Agency —
Screening library of detectable PFAS ions, results from identified PFAS from suspect screening of AFFF materials on the market. This dataset is not publicly...