Expand Your Mass Spectral Screening Library
MS Databases Overview
Get More MS Databases Compatible with Your ACD/Labs Software
Do you screen mass spectra against databases to identify unknowns? Increase your chances of getting a spectral match. Expand your screening capabilities by hundreds of thousands of spectra with Wiley MS databases.
Find the right library for your purpose, whether you’re screening for pharmaceuticals, peptides, industrial compounds, environmental pollutants, or more.
Databases are in ACD/Labs’ native format (*.cfd) for compatibility with our software.
Adding Databases in Two Easy Steps
- Save the databases where they’ll be accessible from your computer.
- When you run a spectral search in ACD/Labs’ software, select the databases to search against.
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 (not available in ACD/Labs’ *.cfd format)
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