This page brings together a large collection of free resources for EI GC–MS and LC–MS/MS, including NIST-format spectral libraries, fully functional NIST software,
introductory and advanced tutorials, chemical drawing programs, and test data files.
The downloadable libraries include approximately 58,000 EI spectra with more than 33,000 structures and more than 500,000 MS/MS spectra with over
150,000 structures. They can be searched directly with NIST software and used for teaching, self-study, method development, and unknown identification.
The free NIST26 software supports both EI GC–MS and accurate-mass LC–MS/MS workflows. Available capabilities include integrated GC–MS deconvolution
and library searching, MS Interpreter for relating fragment ions to chemical structures, and modern MS/MS library-searching tools. The new accurate-mass LC–MS/MS
capabilities are especially valuable for unknown identification.
I initially created all these free libraries in NIST format to utilize with my laboratory/self-study courses(opens in new tab) for college students. If you find useful, be sure to consider
the future purchase(opens in new tab) of full copies of the NIST26 EI and MSMS libraries and associated software. Shop around, prices vary dramatically. Also, Wiley(opens in new tab) offers
the Wiley Registry and a variety of specialty libraries.
FREE EI GC-MS Libraries in NIST Format:
-Download zip file of FREE 58,457 EI Spectra and 33,461 Structures(opens in new tab)
-Description of FREE EI Spectra and Structures(opens in new tab) (PDF Read_me)
-Additional Metabolome EI Partial Spectra(opens in new tab) (>2,593)
-MACE (mass spectra for chemical ecology)
-Metabolome EI Partial Spectra >(2,593 spectra)(opens in new tab)
-Updated Cayman Library(opens in new tab)
-User EI Libraries(opens in new tab)
EI GC/MS Resources
-Free download of NIST 2017 EI and MSMS Search Program(opens in new tab)
-Free basic course on Free Demo 2017 version of EI NIST software(opens in new tab)
-More advanced course on 2020/2023 purchased versions of EI NIST software(opens in new tab)
-Importing EI Spectra to NIST search from vendor programs, not AMDIS(opens in new tab)
FREE LC-MS/MS Libraries in NIST Format:
-Download >500K MSMS Spectra with >150K Structures(opens in new tab) (large file 1.2 GB)
-Description of FREE MSMS Spectra and Structures(opens in new tab) (PDF Read_me)
-User MS/MS Libraries(opens in new tab)
LC-MS/MS Resources
-Fully Functional Free Demo Software for NIST26 MSMS Processing(opens in new tab)
-Free advanced course on 2020/2023 purchased versions of MSMS NIST software(opens in new tab)
-Importing MSMS Spectra to NIST search from vendor programs(opens in new tab)
-Thermo Orbitrap Freestyle for NIST MSMS Library Searches(opens in new tab)
-Agilent(opens in new tab) MassHunter for NIST MSMS Library Searches(opens in new tab)
Free Chemical Drawing Programs:
-Free Chemical Drawing Programs(opens in new tab)