Available Databases
Wiley Registry of Mass Spectral Data, 11th Edition
- 775,500+ GC/EI/MS spectra and 741,000+ searchable chemical structures
- Available formats: ACD/Labs (*.cfd), Agilent ChemStation/MassHunter, NIST MS Search, PerkinElmer TurboMass, Shimadzu GCMSsolution, Thermo Xcalibur, Waters MassLynx
NIST/EPA/NIH EI Mass Spectral Library 2020
- Compounds include human and plant metabolites, drugs, peptides, and other industrial and environmental compounds
- 350,643 electron ionization (EI) spectra for 306,869 unique compounds
- Most records include chemical name, formula, chemical structure, molecular weight, CAS number, contributor name, list of peaks, synonyms, and useful ancillary information
Expand beyond EI with a bundle that contains all three catalogs of the NIST/EPA/NIH Mass Spectral Library 2020 (not available in ACD/Labs *.cfd format)
- EI mass spectral library of 350,643 EI spectra for 306,869 compounds (same as above)
- 4 MS/MS libraries with 1,320,389 spectra for 30,999 unique compounds
- GC Retention Index Library with 447,285 GC retention index values for 139,692 unique compounds
- Available in multiple native vendor formats
Wiley Registry 12th Edition/NIST 2020 EI Mass Spectral Library
- Broadest mass spectral collection obtainable with over 1 million EI spectra, 1 million+ searchable chemical structures, and 840,000+ unique compounds
- Combines the Wiley Registry 12th Edition and NIST 2020 Mass Spectral Library (EI catalog only)
- Available formats: ACD/Labs (*.cfd), Agilent ChemStation/MassHunter, NIST MS Search, PerkinElmer TurboMass, Shimadzu GCMSsolution/LabSolution, Thermo Xcalibur, Waters MassLynx