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SurfaceSpectra Identity

Written by Alex Henderson


SurfaceSpectra Identity is free software that allows you to view and export isotope patterns.

Search for all possible, chemically valid molecular formulae for the selected mass. Currently only C, H, O, N, S and P supported.

Enter a molecular formula of your choice and have the isotope pattern displayed on-screen.

The first version of this software provides a host of features such as;

  • Exact mass and natural abundance as specified by NIST
  • Gaussian peak shape
  • Summed peak envelope rather than a nominal mass stick spectrum
  • Isotope pattern drawn on the screen
  • Copy and paste results to MS Word, MS Excel etc.
  • Enter more than one element – SnCl4
  • Handles round brackets – CH3(CH2)2CH3 – and water of crystallisation – H2SO4.2H2O

How to cite

In order to cite Identity please refer to the following article.

SIMS informatics. A. Henderson, J.D. Moore and J.C. Vickerman, Surf. Interface Anal. 45 (2012) 471-474,  doi: 10.1002/sia.5065

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