| 摘要 |
The invention relates to a method of determining a branched molecular structure from data relating to masses of fragments of said molecule. The inventive method is characterised in that it comprises the following steps: (a) the list of basic elements that can form the branched molecule is saved in a memory element; (b) solutions to an equation are stored in a memory element, said equation involving the aforementioned basic elements, the mass of same, the number thereof and one of the given masses, step (b) being performed for all of the masses; (c) sequences of basic elements are created from said solutions, each sequence comprising a solution for a minimum mass and the full sequence being the solution for a maximum mass; (d) the sequences are grouped together by composition; (e) possible tree structures are stored for a composition of basic elements according to the sequences for said composition which were determined in step (c); (f) all of the possible fragments of the tree structure are calculated for each tree structure from step (e); and (g) a test is performed for each fragment from step (f) in order to ascertain whether or not said fragment corresponds to one of the given masses. |
