This dataset contains templates to assist with the implementation and validation of rapid gas chromatography-mass spectrometry (GC-MS) technology for the analyses of seized drugs (probe tip injection) and ignitable liquids (liquid and solid phase microextraction (SPME) injection). The validation package includes plans and workbooks for each application, both of which can be modified to fit the methods and approaches currently utilized in the laboratory. A standard operating procedure (SOP) for the rapid GC-MS system is also included in the validation package. Certain commercial equipment, instruments, or materials are identified in this dataset in order to specify the experimental procedure adequately. Such identification is not intended to imply recommendation or endorsement by the National Institute of Standards and Technology, nor is it intended to imply that the materials or equipment identified are necessarily the best available for the purpose.

This dataset includes templates to assist with laboratory implementation of direct analysis in real time mass spectrometry (DART-MS) for seized drug analysis. These templates should be modified as necessary to meet the needs of the particular laboratory. Certain commercial equipment, instruments, or materials are identified in this paper in order to specify the experimental procedure adequately. Such identification is not intended to imply recommendation or endorsement by NIST, nor is it intended to imply that the materials or equipment identified are necessarily the best available for the purpose. These opinions, recommendations, findings, and conclusions do not necessarily reflect the views or policies of NIST or the United States Government.

This dataset contains information regarding the development of targeted GC-MS methods for forensic seized drug analysis. Included in this dataset are method parameter files, mass spectra, mass spectral databases, and retention time / retention index data.

Direct Analysis in Real Time Mass Spectrometry (DART-MS) is an analytical chemistry technology that is being increasingly employed in forensic applications. This form of mass spectrometry rapidly yields rich structural information about an analyte with minimal sample preparation. The challenge with DART-MS data, much like other data generated with high throughput technologies, lies in the data interpretation. This is especially true when the analyzed samples are multi-component mixtures like seized drug evidence. The NIST/NIJ DART-MS Data Interpretation Tool (DIT) is a freely available and open-source software tool developed to support the interpretation of in-source collision induced dissociation (is-CID) DART-MS data. The NIST/NIJ DART-MS DIT can be used to view reference mass spectra from DART-MS spectral libraries, search query DART-MS mass spectra of mixtures against reference libraries, using the Inverted Library Search Algorithm, and generate printable reports from search results. Several of the features, including the formatting of generated reports, were iteratively designed with input from local, state, and federal forensic practitioners, ensuring that the program is intuitive and usable for the expected users.

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 compounds in the samples is also provided. This dataset is not publicly accessible because: EPA cannot release personally identifiable information regarding living individuals, according to the Privacy Act and the Freedom of Information Act (FOIA). This dataset contains information about human research subjects. Because there is potential to identify individual participants and disclose personal information, either alone or in combination with other datasets, individual level data are not appropriate to post for public access. Restricted access may be granted to authorized persons by contacting the party listed. It can be accessed through the following means: By viewing the analyzed spreadsheets attached to the Journal Article. Format: The original dataset contains identification information for the firefighters who participated in the controlled structure burns. The analyzed data can be made publicly available. This dataset is associated with the following publication: Wallace, A., J. Pleil, K. Oliver, D. Whitaker, S. Mentese, K. Fent, and G. Horn. Non-targeted GC/MS analysis of exhaled breath samples: Exploring human biomarkers of exogenous exposure and endogenous response from professional firefighting activity. JOURNAL OF TOXICOLOGY AND ENVIRONMENTAL HEALTH - PART A: CURRENT ISSUES. Taylor & Francis, Inc., Philadelphia, PA, USA, 82(4): 244-260, (2019).

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- and polyfluoroalkyl substances, Journal of Chromatography A, Volume 1693, 2023, 463884, ISSN 0021-9673, https://doi.org/10.1016/j.chroma.2023.463884". Portions of this dataset are inaccessible because: N/A. They can be accessed through the following means: Further data will be made available on request from Seth Newton (newton.seth@epa.gov). Format: N/A. This dataset is associated with the following publication: Casey, J., S. Jackson, J. Ryan, and S. Newton. The use of gas chromatography – high resolution mass spectrometry for suspect screening and non-targeted analysis of per- and polyfluoroalkyl substances. JOURNAL OF CHROMATOGRAPHY A. Elsevier Science Ltd, New York, NY, USA, 1693: 463884, (2023).

The data presented in this data file is a product of a journal publication. The dataset contains FTOH concentrations detected in standards and consumer products and their emissions concentrations from consumer products. This dataset is associated with the following publication: Robbins, Z., X. Liu, B. Schumacher, M. Smeltz, and H. Liberatore. Method Development for Thermal Desorption-Gas Chromatography-Tandem Mass Spectrometry (TD-GC-MS/MS) Analysis of Trace Level Fluorotelomer Alcohols Emitted from Consumer Products. JOURNAL OF CHROMATOGRAPHY A. Elsevier Science Ltd, New York, NY, USA, 1705: NA, (2923).

A suspect screening analysis method is presented to rapidly characterize chemicals in 100 consumer products -- whether they be formulations (shampoos, paints), articles (upholsteries, shower curtains), or foods (cereals) – and therefore supports broader efforts to prioritize chemicals based on potential human health risks. A two-dimensional gas chromatography-time of flight/mass spectrometry method was used to screen for chemicals in selected products. Analysis yielded 4270 unique chemical signatures across the products, with 1602 signatures tentatively identified using the National Institute of Standards and Technology 2008 spectral database. Chemical standards confirmed the presence of 119 compounds. Of the 1602 chemicals, 1404 were not present in a public database of known consumer product chemicals. This dataset is associated with the following publication: Phillips, K., A. Yau, K. Favela, K. Isaacs, A. McEachran, C. Grulke, A. Richard, A. Williams, J. Sobus, R. Thomas, and J. Wambaugh. Suspect Screening Analysis of Chemicals in Consumer Products. ENVIRONMENTAL SCIENCE & TECHNOLOGY. American Chemical Society, Washington, DC, USA, 52(5): 3125-3135, (2018).

Development and validation of new analytical or data tools for seized drug analysis require demonstration of the approach's ability to accurately detect the components of complex, realistic drug mixtures. However, gaining access to these types of samples, or the data from these types of samples, can be difficult. To help address this gap, the Characterized Authentic Drug Samples (CADS) project aims to: 1) source authentic seized drug samples from collaborating forensic laboratories, 2) characterize the samples using a variety of analytical tools, and 3) make available small amounts of the samples, as well as the corresponding data, to researchers and practitioners.This dataset provides pdf reports of analysis for all available CADS samples.Disclaimer: Certain commercial products are identified in order to adequately specify the procedure; this does not imply endorsement or recommendation by NIST, nor does it imply that such products are necessarily the best available for the purpose. A portion of this work was supported by the National Institute of Justice, Office of Justice Programs, U.S. Department of Justice.

Drug Testing system