Abstract
The NIH/EPA Mass Spectral Search System (MSSS), and its associated data bases of EI and CI spectra and proton affinity/gas-phase basicity values, is a part of the NIH/EPA Chemical Information System (CIS). The CIS is a collection of spectroscopic, toxicological, regulatory and chemical structure data bases and associated search software and analysis systems. The MSSS contains a number of algorithms for assistance in the interpretation of mass spectral data. In addition to several different library retrieval methods which search a data base of nearly 39,000 spectra, the MSSS contains some pattern recognition routines to aid in classifying spectra which are not present in the library.
Published Version
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