Adduct Ions Calculator

What is an Adduct Ion?

In mass spectrometry, an adduct ion is formed when a molecule combines with another ion or small molecule during ionization. Common adducts include [M+H]⁺, [M+Na]⁺, [M−H]⁻, and others. These adducts shift the measured m/z value and must be considered when interpreting spectra.

Why This Calculator Matters

This tool converts molecular formula, SMILES, or exact mass into a list of common adduct ions with calculated m/z values. It is particularly useful in metabolomics, lipidomics, and compound screening workflows.

Real-World Utility

The calculator allows comparison between theoretical adduct m/z values and experimentally measured m/z values using ppm tolerance. This reduces manual annotation errors and accelerates spectral interpretation.