NIST/EPA/NIH Mass Spectral Library

Standard Reference Data Program, NIST/EPA/NIH Mass Spectral Library, Version 2.0f, National Institute of Standards and Technology, Gaithersburg, MD. 

NIST Standard Reference Database 1A, NIST/EPA/NIH Mass Spectral Library with Search Program (Data Version NIST 02, Software Version 2.0). 

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... 

Numerous mass spectra of tocopherols and tocotrienols have been published and many are available in the NIST/EPA/NIH Mass Spectral Library (2011) and MassBank (2011). In addition to the above chromatographic and nonchromatographic methods for tocol analysis, kits are also commercially available for the ELISA (Enzyme-linked im-munoabsorbent assay) of vitamin E. 

Identification of individual compounds was based on comparison of EC-mass spectra with those of reference compounds, mass spectral data bases (NIST/EPA/NIH Mass Spectral Library NIST2000, Wiley/NBS Registry of Mass Spectral Data, 7th Ed., electronic versions) and gas chromatographic retention times, elution patterns or retention indices (e.g. Vassilaros et al., 1982 Rostad and Pereira, 1986 Ballschmitter et al. 1987, Bundt et al., 1991 Paschke et al., 1992 Peters and Moldowan, 1993 Wang et al., 1994). For correction of injection time inaccuracies the retention times of the internal standard compounds were used. 

The NIST/EPA/NIH Mass Spectral Library, another useful resource for mass spectral data. The 2005 version (NIST05) contains 190,825 spectra. A smaller collection can be accessed over the Internet (http //webbook.nist.gov/chemistry). 

NIST/EPA/NIH Mass Spectral Library 2005, Version NIST 05. Mass Spectrometry Data Center. Gaithersburg National Institute of Standard and Technology. 

The NIST/EPA/NIH Mass Spectral Library is probably the most popular and most widely distributed library for GC-MS instruments. The 2011 edition has been largely expanded by the number of El (electron-ionization) mass spectra with the addition of Kovats RIs. MS/MS mass spectra are increasingly included. Extensive spectra evaluation and quality control has been involved in the new edition of the NIST database. Each spectrum was critically examined by experienced mass spectrometrists, and each chemical structure has been examined for correctness and consistency, using both human and computer methods (Ausloos etal., 1999). Spectra of stereoisomers have been intercompared, chemical names have been examined by experts and lUPAC names provided. CAS registry numbers have been verified. 

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