Fragmentation Flashcards
The molecular ion peak can be used to identify the
molecular mass of a compound
However, different compounds may have the same molecular mass
To further determine the structure of the unknown compound, …………………is used
fragmentation
Fragments may appear due to the formation of
or loss of
characteristic fragments or the loss of small molecules
Fragments may appear due to the formation of characteristic fragments or the loss of small molecules
For example, a peak at 29 is due to the characteristic fragment C2H5+
Loss of small molecules give rise to peaks at 18 (H2O), 28 (CO), and 44 (CO2)
Simple alkanes are fragmented in mass spectroscopy by breaking the
c-c bonds
Halogenoalkanes
Halogenoalkanes often have multiple peaks around the molecular ion peak
This is caused by the fact that
there are different isotopes of the halogens
Alcohols often tend to lose a water molecule giving rise to a peak at
18 below the molecular ion
Another common peak is found at m/e value 31 which corresponds to the CH2OH+ fragment
For example, the mass spectrum of propan-1-ol shows that the compound has fragmented in four different ways:
Loss of H* to form a C3H7O+ fragment with m/e = 59
Loss of a water molecule to form a C3H6+ fragment with m/e = 42
Loss of a *C2H5 to form a CH2OH+ fragment with m/e = 31
And the loss of *CH2OH to form a C2H5+ fragment with m/e = 29