use of percentage composition by mass to determine the empirical formula of a compound
Mass spectra:
use of the molecular ion peak to determine the molecular mass and fragment ions to determine parts of the molecule
the molecular formula can then be determined from the empirical formula and the molecular mass
infrared spectra:
use of absorption peaks to identify bonds present and functional groups
NMR spectra:
to determine the number and types of carbon and hydrogen atoms from the chemical shifts of peaks and the order of atoms within molecules from splitting patterns