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The table shows all molecules. Click any table row to update the grouped values and spider plots for that molecule. Values in the spider plots are normalized to 0-100 within each category; tooltips show raw values. Analytical domain cells use a red-to-green probability color scale.
paste SMILES manually below.
No structure drawn yet
The app polls chemical Structure for SMILES and updates predictions when the structure changes. The PDF export captures the selected structure, grouped values, and spider plots.
Search data.parquet by precursor m/z and adduct. Optional RTI, CCS, molecular formula, and application-domain filters refine/rank candidates.
Searches above 40 ppm are blocked.