Mass Spec ToolsTM

Isotope Ratio Calculator

With this program:

  • You can calculate the theoretical isotope ratios and the predicted mass spectral display for any given elemental composition at any mass spectrometer resolving power.
  • You can enter the elemental composition quickly and easily by using atomic symbols and multiple levels of parentheses.
  • With user defined elements you can calculate the expected isotope ratios for isotopically labeled compounds.

The program supports multiply charged ions and allows you to view and calculate the predicted mass spectrum for large molecules and ultra-high resolution mass spectra.

ipcalc.gif (11939 bytes)

Theoretical and observed isotope ratios for W(CO)6 (tungsten hexacarbonyl) at a mass spectrometer resolving power of 10,000 (10% height definition).

ipcalc2.gif (10400 bytes)

Zoom in to examine an enlarged view of any portion of the display. You can view the cursor x (m/z) and y (abundance) position at any time.

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