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NIST/EPA/NIH Mass Spectral Library 2023

NIST/EPA/NIH Mass Spectral Library 2023

The NIST/EPA/NIH Mass Spectral Library 2023, the successor to the NIST 2020, 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 23 contains over a million mass spectra including 394,000 EI spectra for 341,600 compounds and over 2,300,000 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.

What’s Included:

  • Electron Ionization (EI) mass spectral library
  • 4 MS/MS libraries
  • GC Retention Index (RI) library
  • NIST 2023 Software: MS Search, AMDIS, MS Interpreter

What’s New in this Release?
In the latest release:

  • The EI Library has added over 40,000 unique compounds with more than 43,000 spectra, in addition to AI-RI values for all EI data
    The MS/MS Library has added 60% more compounds than the 2020 release, now covering over 51,000 compounds and over 399,000 precursor ions
    The GC RI Library added over 40,000 compounds


SX-NIST23 - NIST/EPA/NIH Mass Spectral Library 2020
SX-NIST23UP - NIST/EPA/NIH Mass Spectral Library 2020 (Upgrade)*

SX-NIST-Tandem – MS/MS Spectra only
SX-NIST-GC – GC Method & Retention Index Data (no Mass Spectra, for GC-FID, GC-FTIR, etc)

*customers must have proof-of-purchase, for each copy of the previous version (NIST98 or higher) of this Mass Spectral Database being upgraded


What is new in NIST23

EI Library Spectra: 394,000
EI Chemical Structures: 347,100
EI Unique Compounds: 341,600
All-RI Values for all EI Compounds

MS/MS Library Spectra: 2.31M+
Precursor Ions: 399,200
MS/MS Unique Compounds: 51,500

GC Retention Index Library (RI) Unique Compounds: 180,600
GC Retention Index (RI) Values: 491,700

Spectrometrics-Mass Spectral Libraries Compatibility-LC-MS

Spectrometrics-Mass Spectral Libraries Compatibility-GC-MS

Compound coverage includes:

  • Drugs/Pharmaceuticals
  • Industrial Surfactants
  • Pesticides/Pollutants
  • Human Metabolites
  • Plant Metabolites
  • Extractables & Leachables
  • Peptides
  • Glycans-Lipids-Sugars

Compound coverage can be searched at www.compoundsearch.com

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