Data Publication

NIST/NIJ DART-MS Data Interpretation Tool

Edward Sisco , Arun S. Moorthy , Stephen S. Tennyson , Ruthmara Corzo
Contact: Arun Moorthy..
Identifier: doi:10.18434/mds2-2448
Described in article:
Version: 1.0.1 Released: 2021-09-30 Last modified: 2021-09-30

Abstract

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.
Research Topics: Chemistry: Analytical chemistry , Forensics: Drugs and toxicology    
Subject Keywords: source code, DART-MS, Forensic Chemistry, Seized Drug Analysis, ILSA    

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About This Dataset

Version: 1.0.1 Released: 2021-09-30 Last modified: 2021-09-30
Cite this dataset
Sisco, Edward , Moorthy, Arun S., Tennyson, Stephen S., Corzo, Ruthmara (2021), NIST/NIJ DART-MS Data Interpretation Tool, National Institute of Standards and Technology, https://doi.org/10.18434/mds2-2448 (Accessed 2021-11-30)
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