31 datasets found
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Federal
Fluorinated Compounds in U.S. Fast Food Packaging
U.S. Environmental Protection Agency —
Paper samples, paper extracts (known), paper extracts (unknown). This dataset is associated with the following publication: Schaider, L., S. Balan, A. Blum, D.... -
Federal
FluoroMatch 2.0-making automated and comprehensive non-targeted PFAS annotation a reality
U.S. Environmental Protection Agency —
Data for "Koelmel JP, Stelben P, McDonough CA, Dukes DA, Aristizabal-Henao JJ, Nason SL, Li Y, Sternberg S, Lin E, Beckmann M, Williams AJ, Draper J, Finch JP, Munk... -
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
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
Non-Targeted Analysis of ENTACT Mixtures
U.S. Environmental Protection Agency —
Results from a non-targeted analysis of synthetic chemical mixtures. This dataset is associated with the following publication: Sobus, J., J. Grossman, A. Chao, R.... -
Federal
Dataset for non-targeted urinary biomarkers
U.S. Environmental Protection Agency —
This dataset contains a summary of compounds found in human urine samples. This dataset is not publicly accessible because: EPA cannot release personally identifiable... -
Federal
Uncertainty Estimation Strategies for Quantitative Non-Targeted Analysis
U.S. Environmental Protection Agency —
N/A. This dataset is associated with the following publication: Groff, L., J. Grossman, A. Kruve, J. Minucci, C. Lowe, J. McCord, D. Kapraun, K. Phillips, S.... -
Federal
Newton SSANTA Dr Water using POU filters dataset
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
Chemical Features for: Examining Chemical Space Coverage of Solid Phase Extraction Methods in Environmental Water for Use with Non-Targeted Analysis Methods
U.S. Environmental Protection Agency —
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... -
Federal
Predicting compound amenability with liquid chromatography-mass spectrometry to improve non-targeted analysis
U.S. Environmental Protection Agency —
The dataset and experimental and predicted amenability calls are provided in the supplemental file “Supplemental_ToxCast_PhaseII.xlsx”. PaDEL descriptors were... -
Federal
Mass Spectrometry Abundances and Estimated Concentrations for Emerging Chlorinated Polyfluorinated Polyether Compounds Impacting the Waters of Southwestern New Jersey
U.S. Environmental Protection Agency —
All detected feature abundances from NTA pre-screen on TOF and merged in-depth Orbitrap data collection from 2017 water set, as well as Orbitrap raw abundances and... -
Federal
Integrative exposomic, transcriptomic, epigenomic analyses of human placental samples links understudied chemicals to preeclampsia
U.S. Environmental Protection Agency —
Data for "Integrative exposomic, transcriptomic, epigenomic analyses of human placental samples links understudied chemicals to preeclampsia". Portions of this... -
Federal
Cape Fear Analysis Dataset
U.S. Environmental Protection Agency —
Compound discovery, All chemical features, assigned chemical species and Profinder Settings. This dataset is associated with the following publication: McCord, J.,... -
Federal
Data for Weitekamp et al. "Triclosan-resistant host-associated microbiota perform xenobiotic biotransformations in larval zebrafish"
U.S. Environmental Protection Agency —
This file contains data used to generate figures shown in Weitekamp et al. Triclosan-resistant host-associated microbiota perform xenobiotic biotransformations in... -
Federal
Non-Targeted Analysis (NTA) of Plasma and Liver from Sprague Dawley Rats Exposed to Perfluorohexanesulfonamide (PFHxSA), a Precursor to Perfluorohexane Sulfonic Acid (PFHxS)
U.S. Environmental Protection Agency —
Supplementary materials for "Non-Targeted Analysis (NTA) of Plasma and Liver from Sprague Dawley Rats Exposed to Perfluorohexanesulfonamide (PFHxSA), a Precursor to... -
Federal
Expanded coverage of NT-LC-HRMS using atmospheric pressure chemical ionization: A case study with ENTACT mixtures
U.S. Environmental Protection Agency —
LC data generated using APCI and ESI for analysis ENTACT mixtures. This dataset is associated with the following publication: Singh, R.R., A. Chao, K. Phillips, X.R.... -
Federal
Diagnostic Fragmentation Pathways for Identification of Phthalate Metabolites in Nontargeted Analysis Studies
U.S. Environmental Protection Agency —
Prioritized candidate molecular ions in the pooled urine spiking Level-0 (Table S1) prioritized candidate molecular ions in the pooled urine spiking Level-I (Table... -
Federal
Supporting Information for Per- and Polyfluoroalkyl Substances - Non-Targeted Analysis Interlaboratory Study Final Report
National Institute of Standards and Technology —
Supporting information for the NIST Internal Report entitled: Per- and Polyfluoroalkyl Substances - Non-Targeted Analysis Interlaboratory Study Final Report. The... -
Federal
The CompTox Chemistry Dashboard: a community data resource for environmental chemistry
U.S. Environmental Protection Agency —
The contents of the chemistry database, presently containing ~ 760,000 substances, are available as public domain data for download. The chemistry content... -
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...
31 datasets found