Friday, 5 September 2014

NEW NIST 2014 mass spectral library

Originally posted in NIST 2014.

Identify your mass spectra with the new NIST 14 Mass Spectral Library and Search Software.

NIST 14 - The successor to NIST 11 (2011) - Is a collection of:


  • Electron ionization (EI) mass spectra
  • Tandem MS/MS spectra (ion trap and collision cell)
  • GC method and retention data
  • Chemical structures and names
  • Software for searching and identifying your mass spectra
  • NIST 14 is integrated with most mass spectral data systems, including Agilent ChemStation/MassHunter, Thermo Xcalibur, and others. The NIST Library is known for its high quality, broad coverage, and accessibility. It is a product of a three decade, comprehensive evaluation and expansion of the world's most widely used and trusted mass spectral reference library compiled by a team of experienced mass spectrometrists in which each spectrum was examined for correctness.


Improvements from 2011 version:


  • Increased coverage in all libraries: 32,355 more EI spectra; 138,875 more MS/MS spectra; 37,706 more GC data sets
  • Retention index usable in spectral match scoring
  • Improved derivative naming, user library features, links to InChIKey, and other metadata.
  • Upgrade discount for any previous version
  • Lowest Agilent format price available

MS/MS and GC libraries may now be optionally purchased separately at very low cost
Learn what`s new http://www.sisweb.com/software/ms/nist.htm#whatsnew

 Pick related PDFs