This database is the product of a multiyear, comprehensive evaluation and
expansion of the world's most widely used mass spectral reference library.

Data in Library:
* 11% Increase in Coverage
* 27,627 Replicate Spectra from High Quality Sources
* 163,198 Compounds with EI Spectra
* 18,592 Compounds with Replicate Spectra
* 163,195 Chemical Structures
* 111 Average Peaks/Spectrum
* 190,825 EI Spectra
* 98 Median Peaks/Spectrum
* 5,191 MS/MS Spectra
* 1,920 Ions (1,628 Cations and 292 Anions)
* 25,728 Compounds with Retention Indices
* 120,786 Experimental Values with References; Structure-based RI Estimates

Evaluation and Quality Control:
* Each spectrum critically examined by experienced mass spectrometrists.
* Each chemical structure examined for correctness and consistency,
using both human and computer methods.
* Spectra of all stereoisomers intercompared.
* Chemical names examined by experts and IUPAC names provided.
* Thousands of replacements of the best spectrum of a compound with a
higher quality spectrum.
* Verified CAS registry numbers.

This library is available with Version 2.0d of the full-featured NIST
MS Search Program for Windows, which also includes integrated tools for:
* GC/MS deconvolution (new version 2.6)
* MS Interpretation (new version 2.0; thermodynamics-based
interpretation of fragmentation)
* Chemical Substructure Analysis

Download File Size:237.43 MB

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