Structure and MF information

Isotopic distribution and elemental analysis from a structure

Introduction

This tool allows to calculate the theoretical distribution and monoisotopic mass from a structure as soon as drawn or imported as 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

In order to fragment the molecule you should select the blue round and click on the bonds that are allowed to fragment.