Mass Spec Tools^TM

Mass Spec Tools^TM is a suite of programs that lets you perform calculations for interpreting and predicting mass spectral data:

• Use the Mass Spectrometrist's Periodic Table to view exact masses and relative abundances for each element and its isotopes with a single mouse click.
• Use the Isotope Ratio Calculator to calculate the theoretical isotope ratios for any elemental composition, including multiply charged ions. The program includes a convenient graphical user interface with a display of the expected mass spectrum for any given resolving power. User-defined elements allow calculations for isotopically labeled compounds.
• Use the Elemental Composition Workshop to calculate the possible elemental compositions based upon integer or exact mass measurements, measured isotope ratios, or both. The program includes the capability to import, display, and process mass spectra and to print reports or save them as text files.
• Use theMass Series Calculator to calculate the exact masses for singly and multiply charged ions for a variety of compounds including polymers, clusters, and biomolecules.
• Use the Simple Electrospray Calculator to estimate the molecular weight of a compound from the measured mass-to-charge ratio of two successive charge states.

All of the programs were designed by a mass spectrometrist and use a simple user interface and provide rapid and accurate calculations. The programs are useful for teaching, research, or routine analysis. The programs run on computers operating under 32 bit Microsoft operating systems.