Add or edit compounds in the Fraction collection trigger signals table (LC/MS)
Once a compound has been added to the Fraction collection trigger signals table, you can edit the table to add compounds, delete compounds, or change existing compounds.
| Changes made to the Compounds table or Adducts section appear in the lower preview table, but are not applied to the Fraction collection trigger signals table until you click Apply.Any compounds that duplicate entries already in the Fraction collection trigger signals table will be skipped. An entry is considered to be a dupicate if it has the same name, nominal mass, adducts, and FC signal. |
A maximum of 200 SIMs total between Fraction collection trigger signals and Acquisition parameters are allowed when creating a method with Fraction collection trigger signals.
| If you delete an adduct from the list of available adducts (select the adduct and click X), that adduct is deleted from all compounds in the method with that adduct. |
An adduct starting with + or no sign is interprested as a positive mass shift, and the resulting mass for the compound will be (M + Adduct Mass).
An adduct starting with - is inteterpreted as a negative mass shift, and the resulting mass for the compound will be (M - Adduct Mass).
The formula for positive and negative adducts must be valid.
To acquire SIM on the monoisotopic mass of a compound, use -e and +e.
You can enter a positive or negative polarity that is a loss.
The resulting Adduct Species must be within the mass range of the instrument. If it is not, an error will be shown in the Monoisotopic mass field.
User-added adducts are stored with the method.
To add a compound to the Fraction collection trigger signals table, click
Add compound, and then click 
Add a row at the end of the table in the Compounds table toolbar.To edit the Fraction collection trigger signals table, click
Edit compound, and use the options in the Compounds table toolbar to add or delete a compound, copy a row or cell, or paste a row or cell.The Fraction collection trigger signals table supports up to 20 compounds.
Select the Charge State. You can add up to 10 different charge states. Only one charge state can be selected at a time. If you select a charge state greater than 1, the following rules apply:
Only one adduct in addition to the proton adduct can be selected in each polarity for optimization.
Only change state 1 is allowed when multiple adducts other than the proton adduct are selected.
Only proton selection is allowed for either polarity when more than one charge state is selected.
If you select a charge state greater than 1, one tab for each selected adduct appears below the Adducts section. The charge state tabs list all adduct combinations up to the selected charge state. You must select one of these adducts.
If Targeted points per section (Hz) is selected in the Acquisition Parameters section, the Dwell (ms) field is empty and disabled in the Add/Edit compounds dialog.
If Targeted points per section (Hz) is not selected in the Acquisition Parameters section, the Dwell (ms) field is enabled with a default value of 20.
When adding a compound in the Add compound dialog, changes to the dwell are applied only to the adduct species being added.
When editing compounds in the Edit compound dialog, changes to the dwell are applied to all adduct species in the Fraction collection trigger signals table.
To change the values in the Compounds table, double-click a value or use the dropdown lists. See Advanced Acquire > Acquisition (LC/MS) for more information on the columns in the table. Changes made here update the value in the Adduct species column.
Select the adducts for the compound selected in the Compounds table. Changes made here update the value in the Adduct species column. Only 10 adducts per compound is allowed.
Click Apply to update the Fraction collection trigger signals table with your changes, or close the Add/Edit compound dialog without applying your changes.
Any compounds that duplicate entries already in the Fraction collection trigger signals table will be skipped. An entry is considered to be a dupicate if it has the same name, nominal mass, adducts, and FC signal.