| Information Associated with a Record |
|
In addition to the mass spectrum or spectral tree and the chemical structure, each record can include number of compound identifications, property and origin information. This additional information, which is associated with the record, can be found in the Info page in the Database Manager window. The Info page contains editable fields organized by group and subgroups. Fields holding information that is automatically calculated from a chemical structure (formula, mol. mass, etc.) or acquisition settings adopted from a file cannot be edited. Text in non-editable fields is grayed. The information in the Info page is divided into three groups:
It is important to understand the connection between data in the Info page and the spectral tree hierarchy. The Main group is associated with the entire tree, the Chromatographic Info is associated with a tree node (one chromatogram per tree node is allowed) and Spectrum Info is associated with the selected parallel spectrum. Every parallel spectrum contains its own data in the Spectrum Info group. The reason for this functionality is that the parallel spectra can be acquired under different experimental conditions (collision energy, isolation width, etc.) that must be stored independently. Mass Frontier allows items to be selected which will appear in the Info page for each library separately.
If a record is saved in a library, all data in the Info tab are automatically stored in the SQL database. To permanently store any change, update or deletion in the Info tab, you must save the corresponding record in the library. The Main group contains the Name subgroup with three fields: IUPAC, Synonyms and Commercial Product. The library name search covers all three fields. The Spreadsheet column Name is associated with the IUPAC field in the Info tab.
|


