Rounding for integer mass assumes a resolution of 0.20. That is, 0.81 amu rounds
up, but 0.80 rounds down. Check the exact value for the smallest mass peak to be sure.
Parent mass calculated using the masses of the most abundant isotopes.
IE Users: To print the spectrum, press [Ctrl]P with the spectrum window active.
Isotopic abundances from
Colby College Chemistry, T. W. Shattuck, 9/15/2000