The different m/z values in a mass spectrum can indicate the different ions that the parent molecule lost during fragmentation. Common losses include neutral losses, where the parent molecule loses a small or large molecule. For example, looking at the mass spectrum of acetone (see the figure in Base peak), you can see a loss of 15 Da (the difference between the precursor ion peak, m/z 58, and the peak at m/z 43). This indicates the loss of a methyl group (15 Da) from the original molecule. A subsequent loss of 28 Da corresponds to the loss of CO.

The following table lists common neutral losses (Da) and the corresponding chemical formula with that mass.

Common neutral losses

Loss (Da)

Fragment

15

CH3

18

H2O

19

F

28

CO

29

C2H5 or CHO

35

Cl

46

NO2

59

C3H7O, COOCH3 or CH2COOH

77

C6H5

In some cases, you might not clearly observe a molecular ion owing to extensive fragmentation. The lack of a molecular ion makes it difficult to determine the monoisotopic mass or the structure of your compound.