Isotope pattern prediction

Description

User-generated isotope patterns can be added to the Spectra visualizer for comparison with the raw data.

Method parameters

Chemical formula
Empirical formula of a chemical compound
Charge
Charge of the molecule (z for calculating m/z values)
Polarity
Set positive or negative charge of the molecule. Depending on polarity, electron mass is added or removed.
Minimum abundance
Minimum abundance of the predicted isotopes