To make a change permanent in Fragmentation Library, it must be saved.

To save changes in Reaction Editor or Data Editor:

• Click on any prior or following record to the edited record in the record grid

• Or, click the line up or line down key

• Or, click on the Library button and choose the Save Record To Library pop-up menu item

When saving a record, the software performs three sequential actions:

1. The fragmentation scheme in Reaction Editor is checked for formal correctness. If the software detects an error, you will be prompted to either save the scheme as it is, or return to the record to correct the problem.

2. A fragmentation mechanism for every single unimolecular reaction in the fragmentation scheme is extracted using advanced algorithms. This process can take several seconds for complex reactions.

3. The reaction scheme, additional text, numerical data, and the extracted mechanisms are stored in the database.

If the check for formal correctness encounters an error, you will be prompted to either save the record as it is, or go back and make appropriate changes. If you save a scheme with just a single error, the reaction mechanisms will not be extracted and the entire record will be ignored in the prediction of fragments and mechanism feature. You can return to an erroneous record at any time to fix such a problem and so enable the record for the fragmentation prediction.

Reaction symbols along with reaction abbreviations will only appear if a scheme is correctly saved.

HighChem Fragmentation Library™ and Fragmentation Library™ are trademarks of HighChem, Ltd., Slovak Republic