This program can calculate the isotopic distribution of chemical species. It can also calculate and plot the resulting isotopic pattern of a complex chemical mixture containing multiple compounds in different proportions. This feature can be used while interpreting mass spectrometric data.
To plot the isotopic distribution of a molecule/atom introduce it's chemical formula and press the Add button. You can also change the heigh of the resulting spectrum (default value is 100). The plot can be cleared by pressing the Clear button.
Example Chemical formulas:
C
Al2O3
PbCl2
C60
You can add as many chemical species as you want, while also changing the height property for each one, effectively changing the amount of each compound in the mixture. The Cumulative line on the plot shows the isotopic distribution of the resulting mixture. Any compound can be removed from the mixture by first selecting it in the list of displayed species and then pressing the Remove selected button.
Example of isotopic distribution for a 1:1 mixture of C18H12 and C19.
The obtained isotopic distribution can be exported as either an image or a text file.