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NIST/EPA/NIH Mass Spectral Library and Search Software (NIST17)

NIST17 NIST17 Delivery Options: DVD or FTP
NIST17 License, DVD
(DVD Shipping: $25 USA, $60 Int'l)
NIST17 license, FTP
For other order options, contact:

GC Image, LLC
PO Box 57403
Lincoln NE 68505-7403
USA

email: info@gcimage.com
phone: +1.402.310.4503
fax: +1.402.436.2660

GC Image has deeply discounted pricing on the new NIST/EPA/NIH Mass Spectral Library and Search Software (NIST17), available June 6, 2017.  GC Image, a licensed distributor, offers discount pricing of only $1995 for a new license and $1495 for an upgrade from a previous version.  Additional discounts are available for simultaneous purchase of multiple licenses.

NIST17 consists of new and enhanced versions of:

  • NIST/EPA/NIH Electron Ionization (EI) Mass Spectral (MS) Library,
  • NIST non-spectral data,
  • NIST Tandem (MS/MS) Library (also sold separately),
  • NIST GC Method / Retention Index Library (also sold separately),
  • NIST Mass Spectral Search (MS Search) Program,
  • MS Interpreter, and
  • Automated Mass Spectral Deconvolution and Identification System (AMDIS).

NIST17 contains major enhancements over NIST11:

  • The NIST/EPA/NIH Mass Spectral Library: This release contains 306,622 electron ionization (EI) spectra of 267,376 different chemical compounds — an increase of over 30,000 spectra and nearly 25,000 compounds from the previous release (NIST14). For this release, special effort has been made to add spectra for human and plant metabolites as well as for illicit designer drugs, leading to the addition of thousands of spectra. The evaluation of this library has employed newly-developed search methods, some of which are implemented in the accompanying software and described below.
  • The NIST Tandem (MS/MS) Library consists of two sub-libraries:
    • Small molecules (nist_msms): Includes 574,826 spectra of 118,082 precursor ions for 13,808 different compounds a 2/3 increase in numbers of compounds over NIST14. Spectra of all identifiable precursor ions are included, including fragments, adducts, and isotopic chlorine and bromine peaks. NIST includes spectra for both positive and negative charge states, with fragmentation in both ion trap (at multiple msn levels) and in beam-type collision cells (over a range of energies).
    • Biologically relevant peptides (nist_msms2): Includes 77,649 spectra of 1,435 biologically relevant peptides. Also included are 12,595 spectra of 469 dipeptides also in nist_msms.
  • The GC Method / Retention Index Library: This contains 404,045 retention indices for 99,400 compounds, including 72,361 of which are in the EI library. This is an increase of 16,582 RI values.
  • NIST Search Software (nistms.exe): The search software software has greatly enhanced capabilities. It features a new, powerful search method, the Hybrid Search, which can find many more matching spectra in both our EI and tandem libraries. Another new search method enables the quick comparison of all spectra of a single compound, in both EI and tandem libraries. Multiple enhancements were made for handling high mass accuracy spectra, including a new version of our Mass Spectrum Interpreter, and improved filtering of the multitude of ions and instruments encountered in high mass accuracy ESI ionization. These and more enhancements are described in the documentation accompanying the software. A trial version of the software is available for downnload here.

Components of NIST17 are available separately

  • Tandem (MS/MS) Library Only — $595 (included with NIST17 License)
  • GC Method / Retention Index Library Only — $495 (included with NIST17 License)

NIST17 Tandem (MS/MS) Library

NIST Tandem (MS/MS) Library

As described above, the NIST Tandem (MS/MS) Library is greatly improved in NIST17 and the search program has new support for MS/MS search.  The NIST Tandem (MS/MS) Library has increased to 574,826 spectra of 118,082 ions for 13,808 compounds, a 2/3 increase from the number in NIST14. 

   
NIST17 GC Method / RI Library

NIST GC Method / Retention Index Library

NIST has released the GC Method / Retention Index Library (which is included in NIST17) as a separate ly available product.  The NIST GC Method / Retention Index Library includes 404,045 retention indices for 99,400 compounds, including 72,361 of which are in the EI library.  This is an increase of 16,582 RI values.