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NIST Standard Reference Database 1A
NIST/EPA/NIH Mass Spectral Library with Search Program
|Contents of the NIST 14 Mass Spectral and Retention Index Libraries|
|Library Description||Library File Name||Library Contents|
|NIST/EPA/NIH Mass Spectral Library (EI)|
|Main EI MS Library||mainlib||Spectra for 242,466 chemical compounds|
|Replicate EI MS Library||replib||33,782 replicate spectra|
Tandem (MS/MS) Library - small molecules
|nist_msms||193,119 spectra of 43,912 precursor ions from 8,351 chemical compounds|
|Tandem (MS/MS) Library - biologically-active peptides||nist_msms2||41,165 spectra of 3,546 precursor ions from 1,039 peptides|
|GC Method / Retention Index Library|
|Retention Index Library||
|385,872 RI values for 82,868 compounds; 56,216 compounds in the Main Library have retention index data.|
This library is available with version 2.2g of the full-featured NIST MS Search Program for Windows, which also includes integrated tools for:
Main new features of the NIST MS Search Program version 2.2g are:
A NIST 08 demo version may be downloaded here.
Please click here to view the PDF version of Users' Guide.
System Requirements: This MS search program is a 32-bit Unicode application and thus requires Windows®NT 4.0, 2000, XP, Vista, or Windows®7, 8, 8.1.
To install, run the program Setup.exe and then follow instructions.
Total installed size is approximately 1.5 GB.
Note: AMDIS, MS Interpreter, and Lib2NIST are not compatible with Windows NT 4.0.
Installation includes MS library, Search Program v2.2g, MS Interpreter v2.0, and AMDIS v2.72.
An Automated MS Deconvolution and Identification System (AMDIS).
AMDIS Extracts the spectrum of each component in a mixture analyzed by GC/MS and identifies target compounds. With the support of the Defense Special Weapons Agency (DOD), it was developed at the National Institute of Standards and Technology (NIST) for the critical task of verifying a major international treaty, the Chemical Weapons Convention. After two years of development and extensive testing it has been made available to the general analytical chemistry community.
For more information about AMDIS and to download the latest version of AMDIS please see the AMDIS webpage:
For more information please contact:
The scientific contact for the database is:
Stephen E. Stein
Mass Spectrometry Data Center
National Institute of Standards and Technology
Gaithersburg, MD 20899-8320
(301) 975-2505 firstname.lastname@example.org
Keywords: analysis; chemical analysis; chemical databases; chemical structure; chemistry; mass spectra; mass spectrometry.