Isotope pattern from molecular formula
Theoretical isotope pattern with relative intensities, the cross-check for every formula assignment.
No sign-up. The result appears immediately.
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.
Explained in depth
Molecular formula from exact mass: why 5 ppm is often not enoughThe 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.