NIST 20 MS and MS/MS Libraries

The 2020 NIST/EPA/NIH Mass Spectral Library with Search Program is the standard MS spectra reference database. This library is available with version 2.4 of the full-featured NIST MS Search Program for Windows and includes the Tandem (MS/MS) Library and the GC Method / Retention Index Library.

The Library and Search program integrate with our AnalyzerPro® and RemoteAnalyzer® software products and there is an upgrade option from previous versions of the NIST library.

 

 

 

 

What you get with NIST 2020

  1. The NIST/EPA/NIH Mass Spectral Library: This release contains 350,643 electron ionization (EI) spectra of 306,869 different chemical compounds - an increase of over 40,000 spectra and over 35,000 compounds from the previous release (NIST 2017). 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 1000s 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.
  2. The NIST Tandem Mass Spectral Library: Twice as many compounds compared to NIST 2017. 1.3 million spectra of 31K compounds, 186K precursor ions. Covers a variety of fragmentation methods -- HRAM (high res accurate mass), QTOF, HCD, IT-HRAM, QqQ, ion trap (low res up to MS4), and APCI HRAM -- and precursor ion types -- protonated, deprotonated, water/ammmonia loss, and more. Available as a separate item or bundled with the full version of NIST 2020.
  3. The Gas Chromatography Retention Index and Methods Library: This contains 447,285 retention indices for 139,498 compounds, including 111,768 of which are in the EI library. This is an increase of over 40,000 RI values. Available as a separate item or bundled with the full version of NIST 2020.
  4. NIST Search Software: Version 2.4 of the NIST MSSearch software. It features the ‘Hybrid Search’ option, which can find many more matching spectra in both our EI and tandem libraries. It will handle accurate mass data and includes the NIST 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.
  5. An updated API (Application Programming Interface) in the form of a DLL (dynamic link library) is also available on request. It contains the new features implemented in the latest search software.

Typical NIST MS Search page (Version 2.3).

The NIST Mass Spectral Library is available in four packages

  1. Full version of the NIST Library for Mass Spectrometry (NIST 17) which contains all available libraries, namely the EI Libraries (mainlib and replib), The MS/MS Library, and the GC Methods/Retention Time Database.
  2. Upgrade version of the NIST Library for Mass Spectrometry (NIST 17)which is the full version available at a significantly reduced price to anyone who provides evidence of prior ownership of NIST 98, NIST 02, NIST 05, NIST 08, NIST 11 or NIST 14.
  3. NIST GC Methods/Retention Index Database is available separately, with expanded constraints to help narrow retention time search. With the results from the NIST Mass Spectral Library and the Retention Index Database, you can identify and confirm compound identity in one step.
  4. NIST MS/MS Library available separately, is comprised of two databases. One has spectra for compounds over a wide range of collision energies, ranging from slight to complete dissociation of the precursor ion. The other has spectra of commercial peptides

The upgrade option can save you money.

NIST 20 upgrades are complete databases, and are available to anyone who has prior ownership of NIST 98, NIST 02, NIST 05, NIST 08, NIST 11, NIST 14 or NIST 17. We will need to verify ownership of a current licence. An easy way to do this is to send a screen capture of the MS Search, Help, About nistms.. page.

Check out the NIST 20 release pdfs here and here.

Our Software

AnalyzerPro

AnalyzerPro

AnalyzerPro® is a productivity software application for LC-MS and GC-MS data with support for multiple vendors’ data. This comprehensive post-processing utility provides optimized workflows for sample-to-sample comparison, target component analysis, quantitation and library searching for data generated from any LC-MS and GC-MS platform. Using its proprietary algorithms to detect obscured components that existing software packages are unable to find without .....

AnalyzerPro XD

AnalyzerPro XD

AnalyzerPro® XD is the latest version of our productivity software application now available with support for two dimensional chromatography. Two-dimensional chromatography is a powerful analy­tical tool that has evolved from technology used mainly in the R&D laboratory to a robust commercially available soluti­on from several manufacturers. The technology continues to evolve to address challenges in the analysis of complex samples...

RemoteAnalyzer

RemoteAnalyzer

RemoteAnalyzer is the only open access software solution for today’s fast-paced laboratory. It is designed to operate and optimize the management of multiple locations, multiple types of analyses, multiple scientists of the entire skill set range as well as multiple instrument types from a variety of different vendors. See a case study from the University of Durham regarding their implementation. The walk-up ......

NIST 20 MS and MS/MS Libraries

NIST 20 MS and MS/MS Libraries

The NIST/EPA/NIH Mass Spectral Library with Search Program is the standard MS spectra reference database. This library is available with version 2.4 of the full-featured NIST MS Search Program for Windows and includes ....