Mass Spectrum isotope pattern calculator Using this form you can calculate the mass spectrum isotope pattern for a compound or complex. Simply type the formula in the box below, enter the charge on the parent ion (usually 1) then press return. Notes on entering formulae. The mass calculator on the right may be used to calculate the exact mass of a molecule based on its elemental composition. Simply enter an appropriate subscript number to the right of each symbol, leaving those elements not present blank, and press the 'Calculate' button.Only the mass of the most abundant isotope, relative to C (12.0000), is used for these calculations. Enter Sequence in Capital letters (B, J, O, X, Z not allowed) except: m - Met-ox h - Homoserine lactone U - Selenocysteine s, t, y - Phosphorylated S, T, Y. Isotopes (2) Note that the lightest isotope is also the most abundant one for these elements. Here is a list of the heavy isotopes, sorted by abundance: Isotope Mass Da% Abundance 34S 33.967868 4.21 13C 13.003355 1.10 33S 32.971459 0.75 15N 15.000109 0.37 18O 17.999159 0.20 17O 16.999131 0.038 2H 2.014102 0.015.
Isotopic Pattern Calculator
What is IPC?
Isotope Name Calculator
IPC is a program that calculates the isotopic distribution of a given chemical formula. It gives the rel. intensities and the propability of the masses belonging to a molecule ion, fragment or whatever is represented by the given chemical formula. Furthernmore it can use GNUPlot to visualize the result. Only masses with a rel. Intensity bigger then 0.009% are shown. Additionaly ipc prints the overall number of peaks and the needed computation time.
Isotope Pattern Calculator For Macro
The program uses an algorithm which computes the exact isotopic distribution. This leads to a large number of peaks which have very low rel. abundances. Even for a small molecule as Acetylsalicylic acid ( C9H8O4, Mr=180.15) there are 1350 peaks but only nine of them have a rel. abundance higher then 0.01%.