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.

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 raw and processed data for all CADS samples. The data for each panel is contained in a single folder (i.e., CADS Panel 1) that consists of subfolders containing:1) Raw DART-MS data (.netCDF file format) for the samples in both positive and negative ionization mode. (Folder titled DART)2) Processed DART-MS spectra (.txt format) of the samples in both positive and negative ionization mode. (Folder titled DART)3) Raw GC-MS data (.mzXML format) for the samples, relevant standards, carbon ladders, and positive controls. (Folder titled GCMS)4) Exported GC-FID chromatograms (.txt format) for the samples, relevant standards, carbon ladders, and positive controls. (Folder titled GCFID)5) Raw FTIR data (.dpt format) for the samples. (Folder titled FTIR)Within each subfolder there is a .txt file that explains the file naming scheme for that technique. Also, for GC-MS and GC-FID this files contains the link between carbon ladders and samples.

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 raw datafiles that support the development of rapid gas chromatography mass spectrometry (GC-MS) methods for seized drug analysis. Files are provided in the native ".D" format collected from an Agilent GC-MS system. Files can be opened using Agilent proprietary software or freely available software such as AMDIS (which can be downloaded at chemdata.nist.gov). Included here is data of seized drug mixtures and adjudicated case samples that were analyzed as part of the method development process for rapid GC-MS. Information about the naming of datafiles and the contents of each mixture and case sample can be found in the associated Excel sheet ("File Names and Comments.xlsx").

This dataset contains raw datafiles that support the development of rapid gas chromatography mass spectrometry (GC-MS) methods for seized drug analysis. Files are provided in the native ".D" format collected from an Agilent GC-MS system. Files can be opened using Agilent proprietary software or freely available software such as AMDIS (which can be downloaded at chemdata.nist.gov). Included here is data of seized drug mixtures and adjudicated case samples that were analyzed as part of the method development process for rapid GC-MS. Information about the naming of datafiles and the contents of each mixture and case sample can be found in the associated Excel sheet ("File Names and Comments.xlsx").

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 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.

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 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.