NIST / EPA / NIH Mass Spectral Library 2017

Technique: GC-MS, LC-MS

Purchase Options:

  • DVD
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A trusted broad and accessible mass spectral library

The NIST/EPA/NIH Mass Spectral Library 2017, the successor to the NIST 2014, is a fully evaluated collection of electron ionization (EI) and MS/MS mass spectra, with chemical and GC data, plus search software to identify your own unknown spectra. NIST 17 contains nearly a million mass spectra including 306,000 EI spectra for 267,000 compounds and 652,000 tandem MS/MS spectra.

It is a product of a more than three-decade, comprehensive evaluation and expansion of the world's most widely used mass spectral reference library by a team of experienced mass spectrometrists at the National Institute of Standards and Technology (NIST) in which each spectrum was examined for correctness.

The collection is comprised of the following three libraries:

  • Electron Ionization (EI) mass spectral library
  • MS/MS library
  • GC Retention Index library

Library Specifications

306,622 EI spectra for over 262,150 compounds
652,475 MS/MS spectra for over 15,243 compounds
404,045 retention index values for over 99,400 compounds


Agilent ChemStation, MassHunter, OpenLab
Bruker MS Workstation
Chromatec Analytic
JEOL msFineAnalysis
NIST MS Search
PerkinElmer TurboMass
Scion MS Workstation
Shimadzu GCMSsolution
Thermo Chromeleon, TraceFinder, Xcalibur
Waters MassLynx

Other versions available:
ACD/Labs ACD/Spectrus Processor*

*Subscription required

Compound Coverage

Compound coverage includes:
Human metabolites
Plant metabolites

Compound coverage can be searched at