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298. PEEKS:A Computer Program for the Quantitative
Prediction of Isotope Abundancies for a Molecule or
Fragment
by B. Mattson and E. Carberry, Southwest Minnesota State College, Marshall, Minnesota 56258 The PEEKS program is a completely general program for the quantitative prediction of isotope abundancies for a molecule or fragment. Such a program is useful in that the theoretical isotope abundance data generated by the PEEKS program for a particular compound or fragment can be compared with the experimentally observed peak region of a low- resolution mass spectrogram. The program is completely self-contained in that the user simply inputs the compound or fragment's formula (as outlined in the beginning of the program) and need not input any other data whatsoever. FORTRAN IV Lines of Code: 248 Recommended Citation: B. Mattson and E. Carberry, QCPE 11, 298 (1976). |