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Found 57 dataset(s) matching "non-targeted analysis".
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These data contain the results of GC-MS, LC-MS and immunochemistry analyses of mask sample extracts. The data include tentatively identified compounds through library searches and compound...
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Screening library of detectable PFAS ions, results from identified PFAS from suspect screening of AFFF materials on the market. This dataset is not publicly accessible because: Data Property of...
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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 & Technology 2023 57 (8), 3075-3084,...
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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)...
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Supporting information for the NIST Internal Report entitled: Per- and Polyfluoroalkyl Substances - Non-Targeted Analysis Interlaboratory Study Final Report. The files include four comma-separated...
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This dataset includes a list of chemicals used to create the ChromGenius retention time prediction model used for validation of non-targeted compounds. The list of identified non-targeted...
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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 candidate compounds that correspond...
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Metadata entry for "Non-targeted Analysis and Toxicity Prediction for Evaluation of Photocatalytic Membrane Distillation Removing Organic Contaminants from Hypersaline Oil and Gas Field-Produced...
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Non-targeted analysis (NTA) is an increasingly popular technique for characterizing undefined chemical analytes. Generating quantitative NTA (qNTA) concentration estimates requires the use of...
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NTA output of 6:2 FTS microbial cultures Chu TAMU. This dataset is associated with the following publication: Yang, S., Y. Shi, M. Strynar, and K. Chu. Desulfonation and defluorination of 6:2...
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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. Singh, A. Williams, C. Grulke,...
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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 following publication: Ulrich, E.,...
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This dataset includes the tables and supplementary information from the journal article. This dataset is associated with the following publication: Wallace, A., J. Pleil, S. Mentese, K. Oliver,...
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Twelve supplementary files from the manuscript "Improving predictions of compound amenability for liquid chromatography-mass spectrometry to enhance non-targeted analysis".
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The dataset and experimental and predicted amenability calls are provided in the supplemental file “Supplemental_ToxCast_PhaseII.xlsx”. PaDEL descriptors were generated for each candidate and...
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A full list of non-target chemical features found in the study "De facto water reuse - Investigating the fate and transport of chemicals of emerging concern from wastewater discharge through...
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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. Purucker, A. Chao, C. Ring, A....
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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 non-targeted analysis of per-...
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Dataset for Identification of Biomarkers of Exposure to FTOHs and PAPs in Humans Using a Targeted and Non-targeted Analysis Approach. This dataset is associated with the following...
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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...
