National Institute of Standards and Technology, Acquisition and Assistance Division, Bldg. 301, Room B117, Gaithersburg, MD 20899

B -- MASS SPECTRAL EVALUATION SERVICES SOL 52SBNB6C9074 DUE 031896 POC Linda Shariati (301) 975-5053 The National Institute of Standards and Technology (NIST) Mass Spectral Data Center (MSDC) of the Chemical Kinetics and Thermodynamics Division (CKTD) is evaluating a large influx of new mass spectra. The contractor shall evaluate the quality of reported mass spectra by using the structure of the compound and known good spectra of similar compounds. The evaluation shall involve determining that the mass spectra of a compound with a given structure is reasonable by using probable losses from the molecular ion, and well established rearrangements of ions with corresponding neutral losses from the structure of the presumed starting compound. The evaluation shall require the ability to assess the possibility of contamination either by air, water, isomers, or other species which may coelute in gas-chromatography columns. In addition, the evaluation will require the ability to evaluate the probability of thermal decomposition of the molecule in the ion-source of the mass spectrometer and an understanding of the ions resulting from species that have no stable molecular ions. NIST will provide to the contractor copies of the spectra to be evaluated along with the names and chemical structures of the presumed starting compounds. These will be provided either in the form of paper copies of the spectra or electronic files (Windows operating system on a PC computer with minimum of 120Mbytes of free hard disk space.) The contractor shall have experience in examining good and bad spectra. The minimum require (0036)

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