| |
1. A molecule can be pictured as a set of partitions: connected groups of atoms (subfragments) held together by cleavable bonds. |
|
2. Here the subfragments are drawn where their length is proportional to their mass.
|
|
| |
 |
|
 |
|
| |
|
|
|
|
| |
|
|
|
|
| |
3. Fragment ions are then composed of different combinations of subfragments |
|
4. The mass fragments can be arranged in the logical order to show how the subfragments can make up the structure. |
|
| |
 |
|
 |
|
| |
|
|
|
|
| |
|
|
|
|
| |
5. The software seeks the mathematical partitions and molecular structures that most simply explain the mass spectral data. |
|
6. The mass defects of the subfragments must be assigned in the same way as their
integral masses. The distribution of mass defects is very important in discriminating one molecule from another.
|
|
| |
 |
|
 |
|
| |
|
|
|
|
