Interpret mass spectra from small molecules (~ 1000 da or less).
Mass Spec Calculator Pro is a free Windows program to assist in the interpretation of unknown GC/MS spectra. Chemical structures can be drawn on screen, read from molfiles or pasted from a SMILES string and then interactively fragmented as desired by breaking selected bonds, with the resulting masses and compositions displayed in each case. Both manual and autofragmentation can be ...
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