Registry of Mass Spectral Data

Stauffer, D.B. and McLafferty, F.W., The Wiley/NBS Registry of Mass Spectral Data, Wiley Interscience, New York, 1989. 

McLafferty. F. W., and Stauffer, D. B. Important Peak Index of the Registry of Mass Spectral Data. New York Wiley-Interscience, 1991. 

Stenhagen, E. Abrahamsson, S. McLafferty, F.W. "Registry of Mass Spectral Data" John Wiley and Sons New York, 1974. 

F.W. McLafferty and D.B. Stauffer, Wiley/NBS Registry of Mass Spectral Data, John Wiley Sons, Ltd, Chichester (1989). 

Mass Spectral Library[35] and the Wiley Registry of Mass Spectral Data[36] are now available to help mass spectrometrists in the identification of unknowns. 

Today, GC-MS (see Section 4.1.1) is a golden standard for detection and quantification of drugs and poisons volatile under GC conditions, whereas nonvolatile compounds require LC-MS (see Section 4.1.2). The GC-MS technique is much more popular for identification purposes than LC-MS, because of the easy availability of the reference mass spectra for many xenobiotics and their derivatives, either in printed or computer form. The most popular libraries are the NIST library, which contains the mass spectra of 130,000 compounds, the Wiley Registry of Mass Spectral Data, which contains 390,000 reference spectra, and the Pfleger-Maurer-Weber library, with 6,300 mass spectra and other data, such as chromatographic retention indexes. 

The results of the interpretation of the gas phase IR and low-resolution mass spectra of 4-phenyl-2-butanone are given in Figure 4. This compound, with a molecular weight of 148, is t3rpical of the size and complexity of compounds which our program handles well. The IR spectrum was taken from the EPA gas-phase IR library, and the mass spectrum from the Registry of Mass Spectral Data.(35)... 

Registry of Mass Spectral Data" Electronic Data Division,... 

Focus identification on the odor-active regions as determined by GC-sniffing and RI values as published in the Flavomet (http //www.nysaes.cornell.edu/flavornet). The fragmentation pattern obtained for the compounds can be compared with those in data banks like the Wiley/NBS Registry of Mass Spectral data (McLafferty and Stauffer, 2000) or the NIST 98 library (National Institute of Science and Technology). 

An excellent collection of NMR and IR spectra for reference purposes is found in The Aldrich Library of 13 C and 1H FT NMR Spectra and The Aldrich Library of Infrared Spectra. Both are available in most libraries and the former can be purchased from Aldrich Chemical Co. A variety of compilations of mass spectral data are available seeF. S. McLafferty and D. B. Stauffer, The Wiley/NBS Registry of Mass Spectral Data, 5th ed., Wiley Interscience, New York, 1988. 

Eina Stenhagen and Fred W.McLafferty, "Registry of Mass Spectral Data", Vol. 1,A Wiley-Interscience Publications, London (197 0. 

The Wiley Registry of Mass Spectral Data, commercially available at John Wiley Sons, Inc., http //www.wiley.com/cda/ product/0 0471515930 desc 3047,00.html - The NIST98-NIST/EPA/NIH Mass Spectral Library, commercially available at the National Institute of Standards and Technology, http //www.sisweb.com/software/ ms/nist98.htm) and... 

Chemicals for which no GC/EIMS library spectra was available in the OPCW Central Analytical Database (OCAD), the Wiley Registry of Mass Spectral Data, and the NIST98-NIST/EPA/NIH Mass Spectral Library, at the time of the proficiency test... 

McLafferty and Stauffer published in The Wiley Registry of Mass Spectral Data a collection of about 380000 spectra of over 200000 compounds [3]. It is the largest and most comprehensive library of reference spectra that contains over 180000 searchable structures and over 2 million chemical names. The eighth edition of The Wiley Registry of Mass Spectral Data is available in electronic format and is compatible with the software of most instrument manufacturers and NIST MSSearch. Furthermore, it is accompanied by an interpretation help program called Probability Based Matching (PBM). 

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