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