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  • Identify unknown compounds from EI (GC/MS) and MS/MS spectra, using library searching.
  • Hundreds of thousands of EI MS spectra, MS/MS spectra, GC data & retention indices, and/or chemical names/structures.
  • World’s most widely used and trusted mass spectral reference library.
  • Search software included. Supports most MS software systems (Agilent ChemStation/MassHunter, Thermo Xcalibur, Shimadzu GCMS Solutions, Waters MassLynx, Thermo Xcalibur, PE TurboMass, etc.)


The NIST 17 mass spectral library, the successor to the NIST 14, 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. 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.

NIST 17 Components
NIST 17 is not just a mass spectral library. It contains these components:

  • Electron ionization (EI) mass spectral library – 306,622 carefully evaluated spectra of 267,376 unique compounds, with identifications, nearly all with chemical structures. You may search names of NIST compounds online.
  • MS/MS library – 652,475 spectra: 176,594 ion trap spectra for 120,346 different ions of 14,351 compounds, and 475,881 collision cell spectra (qtof and tandem quad) spectra for 39,158 different ions of 14,073 compounds. (Also available separately as the NIST MS/MS Database.)
  • Gas Chromatography (GC) data library – 404,045 retention index values (Kovats/Lee) for 99,400 compounds (72,361 in the EI library), covering both polar and non-polar columns. Includes retention indices with GC column conditions and literature citations. (Also available separately as the NIST GC Database.)
  • NIST MS Search software – software for searching (identifying) compounds from their mass spectra and for browsing mass spectral libraries. Also includes MS interpretation programs for analyzing mass spectra on the basis of chemical structure, molecular formula, isotopic patterns, and more.
  • AMDIS software – software for deconvoluting gas/liquid chromatograms
  • Documentation – Approximately 50 page printed and electronic manual on setup and basic usage. Additional information is in the help files.


Libraries are formatted the binary format suitable for use alone or by the NIST MS Search software (and AMDIS). Additional instrument-specific formats (e.g. Agilent ChemStation and MassHunter) are available separately to permit library searching directly within your GC/MS or LC/MS data system.

With each purchase, we ship a DVD (installs software, libraries, and documentation) and a printed manual. If you don’t have a DVD drive, you can electronic download using the web address and license number on the DVD label.