GMD@CSB.DB - MSRI: The Mass Spectral (MS) and Retention Time Index (RI) Libraries
GMD provides public access to custom mass spectra libraries which are implemented in the the Mass Spectral (MS) and Retention Time Index (RI) Libraries (MSRI). These libraries of mass spectral and retention time indices can be used with the Nist software to identify metabolites according their spectral tags and RI's. You can search the list of available libraries by simple inspection or by specific query tools implemented in the MSRI pages. All libraries can be freely downloaded and used. Moreover, GMD ask for contributions to develop the MSRI platform into a comprehensive resource for mass spectral tags and customized libraries, which will be spread to the science community for improved identification of unknown compound in metabolic fingerprint experiments.
You can query / access the MSRI pages by choosing the appropriate category on the list below as well as query for particular mass spectra by name or by a mass spectrum. Moreover, the libraries can be downloaded or customized libraries dynamically generated. All libraries can be imported in the NIST 02 software.
Tutorial: Import (pre-computed) libraries into the NIST software (pdf file).