Isotopic Pattern Calculator

IPC is a useful software program that allows users to calculate the isotopic distribution of any given chemical formula. It provides users with the relative intensities and probability of the masses belonging to a molecule ion, fragment, or any other entity represented by the chemical formula. Additionally, IPC has an integrated GNUPlot feature that enables users to visualize the results.

The software only displays masses with a relative intensity that is greater than 0.009%. IPC also prints out the total number of peaks and the computation time for users' convenience. The program makes use of an algorithm that can calculate the exact isotopic distribution, leading to a large number of peaks with very low relative abundances.

For instance, even for a small molecule like Acetylsalicylic acid (C9H8O4, Mr=180.15), there may be 1,350 peaks generated, but only nine of them have a relative abundance greater than 0.01%.

The latest release of IPC makes use of a complete and updated list of elements and isotopes, with the former obtained from the NIST. This comprehensive list allows users to attain the most accurate and up-to-date results when working on their chemical formulas.