NIST02, NIST / EPA / NIH Mass Spectral Library ( 174,948 Spectra )

NIST05 June 1 Release and Promotion

NIST02 is now available and ready to ship.

NIST Mass Spectral Search Program Screen Shot

Seven reasons to upgrade:

1) Over 60,000 new spectra covering 147,000 compounds in 174500 spectra.

2) Over 14,500 (more the 10%) of  NIST98 spectra replaced with new spectra.


3) Expanded coverage of chemical structures, names, and CAS numbers.


4) Many new natural compound related spectra.


5) Many new acyl and silyl derivative spectra.


6) New pesticide, herbicide, and drug spectra.


7) Better coverage of chemical weapons and precursors.





NIST02 is a fully evaluated collection of electron-ionization (EI) mass spectra. It is the product of a 15-year effort by a team of experienced mass spectrometrists in which each spectrum was examined for correctness. This has led to thousands of selections, deletions and modifications to produce an optimal reference library of compound identification by spectrum matching and library searching. All decisions required agreement by two evaluators, as described in presentations at major conferences.

A 35% increase in coverage was accomplished primarily by the addition of complete, high-quality spectra either measured specifically for the library or taken from major practical collections. Database quality has increased with more peaks per spectrum and more chemical names, chemical structures, CAS numbers and replicate spectra.

All labs with a prior version of the NIST MS library will want this important upgrade. Order your upgrades today.

Customers with multiple MS systems should request a quotation.

To request a quotation or to inquire further contact us at 608-236-9145 or  nist_ms_upgrade@fdmspectra.com.

For further details on the following subjects please follow the links to the FAQ.

Which EPA analytical methods and Superfund methods suggest the use of the NIST/EPA/NIH Mass Spectral Library?

What types of new compounds were added and where did the new data come from?

What are NIST's quality assurance criteria?

How do NIST98 and NIST02 compare from a statistical perspective?

What other MS techniques can the NIST02 EI spectra be used with?

Are there any journal articles describing NIST's spectrum evaluation process?

Are there any journal articles relating to search algorithms used in the NIST Search Program?

Is there a demo program available?

How can the NIST Search Program v2.0 be integrated with Agilent's ChemStation(tm) software?

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