An lnleractive Mass Speclral Search System An interactive conversational mass spectral retrieval system, available over ordinary telephone liner using a teletype-writer terminal from a central computer in the Division of Computer Research and Technology a t the Nsi tional Institutes of Health (NIH), has been used extensively by many researcherssince September, 1971. The mass spectral search system is based on 8782 uncertified electron impact mass spectra. Compounds whose mass spectra. are in the file can be immediately identified and very useful structural inferences can be obtained far compounds that are not represented in the file. The file may be searched in s. number of ways. The current options in thesystem are 1) Peak and Intensity Search 2) Molecular Weight Search 3) Molecular Formula Search a. Complete b. Imbedded
Mass Spectral Search System 41 Molecular Weieht and Peak Search 5j Molecular ~ o r & l a and Peak Search 6) Molecular Weight and Molecular Formula Search
an "abbreviated s~ectrum"file consistine of the two most intense ~ e a k of s every interval of 14 Tho ~ ~svst,em ~ uses ~"~~~ amu, starting ctt m/e = 6.' Attempts are being made to obtain structural information for the original 8782 compounds, however, the nonsystematic nomenclature sometimes used in the file (which was not organized with this use in mind) makes the task difficult. I t is hoped that researchers will become more aware of bhe need for a carefully and well-defined data base of mass s ~ e c t r ainformation l and aid in the establishment of a. high quality file. One very positive result of having a large c&traliaed data base in constant use by many researchers is that errors in the file are found much more readily, and all hen& immediatelvfrom the corrected data base. ~~~~~
K . , A n d . Chern.,43,681 (1971). HlmTe, H. S., HITES,R. A,, ANDBIEMANN,
STEPHENR. HELLER HENRYM. FALES G. W. A. MILNE INSTITUTE OF HEALTH NIH NATIONAL BETHISSDA, MARYLAND 20014
volume 49, Number 7 1 , November 1972
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