NIST/NIJ DART-MS Data Interpretation Tool

Description

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.

Resources

Name Format Description Link
57 DITv3.22_Joro.zip https://data.nist.gov/od/ds/mds2-2448/DITv3.22_Joro.zip
47 An updated version of the DART-MS Data Interpretation Tool. Updated to enable the ability to display database spectra of deuterated compounds and to be able to search deuterated compounds. The database has also been updated to the latest version (Joro). https://data.nist.gov/od/ds/ark:/88434/mds2-2448/DITv3.zip.sha256
57 DITv3.zip https://data.nist.gov/od/ds/ark:/88434/mds2-2448/DITv3.zip

Tags

  • forensic-chemistry
  • dart-ms
  • seized-drug-analysis
  • source-code
  • ilsa

Topics

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