Isotope pattern from molecular formula
Theoretical isotope pattern with relative intensities, the cross-check for every formula assignment.
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The isotope pattern is the most robust additional information next to exact mass. Chlorine, bromine and sulfur produce a pattern that is either present in the spectrum or not.
The same thing from inside your language model
This calculator calls exactly the tool your language model can use over the Model Context Protocol, alongside the other tool families across analytics, toxicology and formulation. Test it free of charge.