NIST DART-MS Forensics Database (is-CID)

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).

Data and Resources

Field Value
accessLevel public
accrualPeriodicity irregular
bureauCode {006:55}
catalog_@context https://project-open-data.cio.gov/v1.1/schema/data.json
catalog_conformsTo https://project-open-data.cio.gov/v1.1/schema
catalog_describedBy https://project-open-data.cio.gov/v1.1/schema/catalog.json
identifier ark:/88434/mds2-2313
landingPage https://data.nist.gov/od/id/mds2-2313
language {en}
license https://www.nist.gov/open/license
modified 2020-10-20 00:00:00
programCode {006:045}
publisher National Institute of Standards and Technology
resource-type Dataset
source_datajson_identifier true
source_hash 655f658d697deb1777c0279afa2366791f21ae84
source_schema_version 1.1
theme {"Chemistry:Analytical chemistry"}
Groups
  • AmeriGEOSS
  • National Provider
  • North America
Tags
  • amerigeo
  • amerigeoss
  • biosciences-and-health
  • chemical-identification
  • ckan
  • geo
  • geoss
  • ion-fragmentation
  • mass-spectra
  • mass-spectrometry
  • national
  • nist-mass-spectral-libraries
  • north-america
  • security-and-forensics
  • standard-reference-data
  • united-states
isopen False
license_id other-license-specified
license_title other-license-specified
maintainer Arun Moorthy
maintainer_email arun.moorthy@nist.gov
metadata_created 2025-11-19T16:05:15.109981
metadata_modified 2025-11-19T16:05:15.109988
notes 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).
num_resources 13
num_tags 16
title NIST DART-MS Forensics Database (is-CID)