This article is from the Mass Spectrometry Internet Resources FAQ, by Kermit Murray kmurray@ch335c.chem.lsu.edu with numerous contributions by others.
See Section 4 for mass spectrometry software, which includes database
search software.
6.1 Free Access Databases
Mass Spectrometry Database Committee
Mass spectra of drugs and metabolites
http://www.ualberta.ca/~gjones/mslib.htm
NIST Chemistry Webbook
Searchable by compound name
http://webbook.nist.gov/chemistry/
6.2 Commercial Databases
NIST/EPA/NIH Mass Spectral Library
EI mass spectra
http://www.nist.gov/srd/nist1a.htm
Wiley Registry of Mass Spectral Data
EI mass spectra
http://www.wileyregistry.com/
 
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