## [Tools] Menu

### MassBank

#### Create spectrum record

1. While a spectrum whose peaks have already been detected is displayed, Select [Tools] in the menu bar and then select [MassBank] > [Create Spectrum Record] from the drop down menu.

   The Create MassBank Spectrum Record dialog appears. Note that settings are displayed on five tabs in this dialog.

2. Enter values for the spectrum record information.

   - Select [Record] to enter the record information.

     Accession

       Spectrum record identifier. This is auto-generated, but may be edited.

     Title

       Brief description of the spectrum record.

     Authors

       Authors and affiliations of the spectrum record.

     Copyright

       Copyright / license information.

     Publications

       References of the mass spectral data.

     Record Comments

       Comments about the spectrum record.

   - Select [CH$] to enter the chemical compound information.

     Compound Name

       Name of the chemical compound analyzed.

     Compound Class

       Category of the chemical compound.

     Formula

       Molecular formula of the chemical compound.

     Exact Mass

       Exact mass of the chemical compound.

     SMILES

       SMILES code.

     IUPAC

       InChI code.

     Links

       Identifiers and links of the Chemical Compound to external databases. (e.g. "CAS 56-40-6", "KEGG C00037")

       Spectrum records can have links to the following external databases:

       CAS
       CHEBI
       CHEMPDB
       CHEMSPIDER
       KEGG
       KNAPSACK
       LIPIDBANK
       LIPIDMAPS
       PUBCHEM

     Chemical Comments

       Comments about the chemical compound.

   - Select [AC$] to enter the analysis conditions information.

     Instrument

       Commercial name, model and manufacturer of the mass spectrometer.

     Instrument Type

       General type of the instrument.

     MS Type

       Data type.

     Mode

       Polarity of the ion detection.

     Conditions

       Analytical conditions.

     Analytical Comments

       Analytical method comments.

   - Select [MS$] to enter the mass spectrometric information.

     Focused Ions

       Information of precursor or molecular ions.

     Processings

       Data peak detection processing methods.

     Mass Spectrometric Comments

       Comments for the mass spectral data.

   - Select [PK$] to enter the peaks information.

     Annotation Method

       Tool used for chemical annotation of peaks with a molecular formula.

     Annotation

       Chemical annotation of peaks, including a molecular formula.

     Mass Spectral Comments

       Comments about the mass spectral peaks.

3. Click [OK].

   The Save MassBank Spectrum Record dialog appears.

4. Enter the filename and click [Save].