Spectra Search

This search tool supports GC-MS, LC-MS/MS and NMR spectral searches against experimentally measured and predicted spectra. Choose the tab to indicate the spectral search type you wish to perform (default is MS/MS) and either enter or paste in the corresponding spectrum into the window below. Fill out the required tolerances and other constraints or filters for each type of spectral query. Identical or similar spectra (using cosine similarity or other measures) along with their structures are returned in a browsable window. Use the "Load Example" buttons to see how to use this tool.

Upload one or more spectra to search against the reference spectral library. Submissions are normalised before searching, and every cleaning decision is reported rather than applied silently.