ChemicalHelper MS

MS Spectrum Prediction & Fragmentation

Predict EI spectra, isotope patterns, and fragment explanations from SMILES

Draw a structure or enter SMILES.

Spectrum

Fragments

m/z Structure Int. Formula Rule Explanation

Isotope pattern

m/z Rel. intensity Offset

Draw structure

Same Ketcher editor as IR / NMR. When finished, tap “Use SMILES & return”.

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