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262. MASSPEC: Mass Spectroscopy Isotope Program
by G. VanderVelde, University of Texas, Austin, Texas 78712 This program produces a relative intensity histogram of parent mass number versus base peak for molecular or atomic species submitted. This histogram shows peak height distribution of parent group due to isotopes of elements. The natural abundance element information is read in as part of the data and can be readily modified to deal with situations in which the natural abundances do not apply. The program runs successfully on the CDC 6600 under the RUN compiler but would require modifications for use with other compilers such as FTN. FORTRAN IV (CDC 6600) Lines of Code: 200 Recommended Citation: G. VanderVelde, QCPE 11, 262 (1974). |