NIST DART-MS Forensics Database (is-CID)

Description

The NIST DART-MS Forensics Database is an evaluated collection of in-source collisionally-induced dissociation (is-CID) mass spectra of compounds of interest to the forensics community (e.g. seized drugs, cutting agents, etc.). The is-CID mass spectra were collected using Direct Analysis in Real-Time (DART) Mass Spectrometry (MS), either by NIST scientists or by contributing agencies noted per compound. The database is provided as a general-purpose structure data file (.SDF). For users on Windows operating systems, the .SDF format library can be converted to NIST MS Search format using Lib2NIST and then explored using NIST MS Search v2.4 for general mass spectral analysis. These software tools can be downloaded at https://chemdata.nist.gov. The database is now (09-28-2021) also provided in R data format (.RDS) for use with the R programming language. This database, also commonly referred to as a library, is one in a series of high-quality mass spectral libraries/databases produced by NIST (see NIST SRD 1a, https://dx.doi.org/10.18434/T4H594).

Resources

Name Format Description Link
57 230104_He_Pos_Library_Grasshopper.zip https://data.nist.gov/od/ds/mds2-3199/230104_He_Pos_Library_Grasshopper.zip
57 230919_HePos_Hornet_v1.zip https://data.nist.gov/od/ds/mds2-3199/230919_HePos_Hornet_v1.zip
57 210915_He_Pos_Library_Dragonfly.zip https://data.nist.gov/od/ds/mds2-3199/210915_He_Pos_Library_Dragonfly.zip
57 220120_He_Pos_Library_Earthworm.zip https://data.nist.gov/od/ds/mds2-3199/220120_He_Pos_Library_Earthworm.zip
0 DART-MS Forensics Database - version Inchworm.Released March 19, 2024Zipped file contains .RDS and .SDF library versions, base peak and molecular ion search lists, and Release Notes highlighting additions and changes compared to the previous version of the library (Hornet). https://data.nist.gov/od/ds/mds2-3199/240319_HePos_Inchworm_v1.zip
57 210915_He_Pos_Library_Dragonfly.zip https://data.nist.gov/od/ds/mds2-2313/210915_He_Pos_Library_Dragonfly.zip
57 220120_He_Pos_Library_Earthworm.zip https://data.nist.gov/od/ds/mds2-2313/220120_He_Pos_Library_Earthworm.zip
57 230104_He_Pos_Library_Grasshopper.zip https://data.nist.gov/od/ds/mds2-2313/230104_He_Pos_Library_Grasshopper.zip
57 240319_HePos_Inchworm_v1.zip https://data.nist.gov/od/ds/mds2-2313/240319_HePos_Inchworm_v1.zip
57 230919_HePos_Hornet_v1.zip https://data.nist.gov/od/ds/mds2-2313/230919_HePos_Hornet_v1.zip
57 250101_HePos_Joro.zip https://data.nist.gov/od/ds/mds2-2313/250101_HePos_Joro.zip

Tags

  • nist-mass-spectral-libraries
  • mass-spectra
  • chemical-identification
  • biosciences-and-health
  • ion-fragmentation
  • standard-reference-data
  • mass-spectrometry
  • security-and-forensics

Topics

Categories