Data SetAdditional InformationDownload LinkFile Size
Predicted NIST20CSV containing 112,156 EI-MS spectra and Kovats' RI values predicted from synthetic and industrial compounds from the NIST20 library Download112.0MB
Predicted HMDBCSV containing 144,327 EI-MS spectra and Kovats' RI values predicted from common metabolite compounds from HMDB Download78.7MB
Predicted Plant (NP-MRD)CSV containing 252,105 EI-MS spectra and Kovats' RI values predicted from plant compounds from NP-MRD Download64.5MB
Predicted Microbial (NP-Atlas)CSV containing 54,594 EI-MS spectra and Kovats' RI values predicted from microbial compounds from NP-Atlas Download0.74 MB
Predicted Environmental (NSLE)CSV containing 183,427 EI-MS spectra and Kovats' RI values predicted from exposome and chemical contaminant compounds from NSLE Download13.3 MB