Prediction of MS spectra
Predict how the MS spectra of specific compounds will look like and simulate the isotopic pattern under multiple detection modes.
As easy as that
1. Open the Properties Predictor.
2. Search or draw the molecular structure of any organic compound.
3. Click on Isotopic Pattern.
4. Check the predicted MS signal under different detection modes.
Get access to isotopic patterns
Draw any organic compound and examine the most probable isotopic pattern outcomes under several detection conditions.
- Detection mode: [M], [M+H]+, [M+Na]+, [M-H]–, etc.
- Charge: positive, negative or neutral
- Customizable formula of the detected species