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Isotope Match
Isotope Match is an additional Spectrum menu item that is only visible if a spectrum has been loaded AND a structure has been autofragmented in the MSC main window. You can click on this item to calculate the theoretical isotope profile for the molecular ion of the structure and compare it with the corresponding ions (if present) in the spectrum. An Isotope Match Index is displayed, along with the number of isotopic masses contributing to the comparison. This comparison is most useful when evaluating halogenated and other molecules with relatively complex isotope profiles. Obviously, the comparison will fail if the compound does not retain any of the molecular ion in the observed mass spectrum. If no ion can be detected at the calculated molecular mass, the program will report this fact and end the comparison.