Free EI and MSMS Spectra in NIST Format

Return to Home Page

I initially created all these free libraries in NIST format to utilize with my laboratory/self-study course for college students. If you find useful, be sure to consider the future purchase of full copies of the NIST23 EI and MSMS libraries and associated software. Shop around, prices vary dramatically.  Also, Wiley offers the Wiley Registry and a variety of specialty libraries.

However, one can also use these free spectra and structures in NIST format with free NIST MS Search software for unknown identifications in your GC-MS and LC-MS analyses. The NIST software includes MS Interpreter for correlating fragment ions to structure and AMDIS for deconvoluting GC-MS data.

Free libraries are included containing 60,829 EI spectra (39,679 structures) and 713,033 MSMS spectra (653,330 structures).  In addition, free chemical drawing programs are available for submitting structures to the NIST program for library searching by structure or by similar structure.

EI GC-MS Resources:

Download zip file of FREE 60,829 EI Spectra and 39,679 Structures 
Description of FREE EI Spectra and Structures (PDF Read_me)
Additional Metabolome EI Partial Spectra (>2,593)
Free download of NIST 2017 EI and MSMS Search Program
Free basic course on Free Demo 2017 version of EI NIST software
More advanced course on 2020/2023 purchased versions of EI NIST software
Importing Spectra to NIST search from vendor programs, not AMDIS

LC-MSMS Resources:

Download zip file of FREE 713,033 MSMS Spectra with 653,330 Structures  (very large, will take a while!)
Description of FREE MSMS Spectra and Structures (PDF Read_me)
Free download of NIST 2017 EI and MSMS Search Program
Free advanced course on 2020/2023 purchased versions of MSMS NIST software
Importing Spectra to NIST search from vendor programs

Free Chemical Drawing Programs:

ACD Free Software (structure drawing program personal/academic use)
Mass Spec Calculator Professional (free structure drawing program)

Return to Home Page

Scroll to Top