Structure and MF information

Isotopic distribution and elemental analysis from a structure

Introduction

This tool allows you to calculate the theoretical distribution and monoisotopic mass from a structure as soon as it is drawn or imported as a SMILES code.

Please use a recent version of Google Chrome!

Tricks:

Click right in the window, you can copy smiles, but also ChemDraw .mol and .sdf files

Fragmenting the molecule

To fragment the molecule, select the blue circle and click on the bonds that are allowed to fragment.