Skip to main content
U.S. flag

An official website of the United States government

Official websites use .gov
A .gov website belongs to an official government organization in the United States.

Secure .gov websites use HTTPS
A lock ( ) or https:// means you’ve safely connected to the .gov website. Share sensitive information only on official, secure websites.

NIST 1. NIST/EPA/NIH Mass Spectral LibraryNIST '98 ASCII Version

Published

Author(s)

Stephen E. Stein

Abstract

NIST '98 is a fully evaluated collection of electron-ionization mass spectra. It is the product of a ten-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 spectrummatching and library searching. All decisions required agreement by two evaluators, as described in presentations at major conferences.A 75% 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, including:Chemical Concepts - including Prof. Henneberg's industrial chemicalscollectionGeorgia and Virginia Crime LaboratoriesTNO Flavors and FragrancesAAFS Toxicology Section, Drug LibraryAssociation of Official Racing ChemistsSt. Louis University Urinary AcidsVERIFIN & CBDCOM Chemical Weapons
Citation
World Wide Web-Internet and Web Information Systems

Keywords

analysis, chemical analysis, chemical databases, chemical structure, chemistry, mass spectra, mass spectrometry

Citation

Stein, S. (2008), NIST 1. NIST/EPA/NIH Mass Spectral LibraryNIST '98 ASCII Version, World Wide Web-Internet and Web Information Systems (Accessed July 15, 2024)

Issues

If you have any questions about this publication or are having problems accessing it, please contact reflib@nist.gov.

Created October 16, 2008