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[Federal Register: September 12, 2002 (Volume 67, Number 177)]
[Notices]               
[Page 57793-57794]
From the Federal Register Online via GPO Access [wais.access.gpo.gov]
[DOCID:fr12se02-32]                         

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DEPARTMENT OF COMMERCE

National Institute of Standards and Technology

[Docket No.: 020827204-2204-01]

 
Notice of Intent To Update Existing Mass Spectral Library

AGENCY: National Institute of Standards and Technology, Commerce.

ACTION: Notice and request for comments.

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SUMMARY: The National Institute of Standards and Technology (NIST) 
announces its intent to enhance its library of mass spectra. The 
enhancement will both expand the coverage of chemical substances in the 
library of mass spectra and add related reference data, including 
retention indices and mass spectra generated from ion trap and mass 
spectrometry/mass spectrometry (MS/MS) instruments. Interested parties 
are invited to submit comments to the address below.

DATES: Comments must be received by October 15, 2002.

ADDRESSES: Comments should be sent to the attention of Dr. Stephen 
Stein at the National Institute of Standards and Technology, Mail Stop 
8380, 100 Bureau Drive, Gaithersburg, MD, 20899-8380.

FOR FURTHER INFORMATION CONTACT: Dr. Stephen Stein by writing to the 
above address or by e-mail at <A HREF="mailto:stephen.stein@nist.gov">stephen.stein@nist.gov</A> or by telephone at 
(301) 975-2444.

SUPPLEMENTARY INFORMATION: As part of its responsibilities under Title 
15 U.S.C. 290 to collect, evaluate and publish high quality Standard 
Reference Data (SRD), NIST creates and maintains evaluated SRD 
databases. One such database is the Mass Spectral Library, which is an 
evaluated data collection containing electron ionization mass spectra 
for discrete chemical substances. The database is primarily used to aid 
in the identification of chemical compounds by providing a source for 
reference spectra for comparison to spectra acquired by commercial 
instruments, especially spectra generated by gas chromatography/ mass 
spectrometry (GC/MS). For each spectrum, auxiliary information for 
chemical identification is provided, including chemical names,

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formulas, chemical structures and related information. It is proposed 
to expand this collection by adding both new classical electron 
ionization spectra as well as related reference data, including gas 
chromatographic retention indices and mass spectra acquired by other 
instrument types. The addition of spectra of relevant compounds and 
derivatives will increase the likelihood of identifying unknown 
compounds, or ruling them out, in a chemical analysis. The addition of 
gas chromatographic retention indices will enable the more reliable 
identification of compounds by matching retention data as well as 
spectral data acquired in a GC/MS analysis. The addition of mass 
spectra generated by other instrument classes, including the methods of 
MS/MS and ion trap mass spectrometry, will broaden the scope of 
application of this library to other analytical methods and substances. 
The net result of these enhancements will be to increase the 
reliability and utility of this library as an aid in the process of 
chemical identification. We invite comments concerning this update.

    Dated: September 5, 2002.
Karen H. Brown,
Deputy Director.
[FR Doc. 02-23267 Filed 9-11-02; 8:45 am]
BILLING CODE 3510-13-P

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