Software Tools
Software Tools
I have developed and deployed the following interactive software tools for the research community.
LC-MS Formula Prediction Tool
This tool predicts plausible $\text{C}_x\text{H}_y\text{O}_z$ elemental formulas from observed LC-MS m/z values and searches the PubChem database for corresponding compounds (focusing on saccharides).
If you encounter any issues or have suggestions, please contact us.