Target Compound Definition

Channel:

Click the arrow and select the channel to be recorded from the list. All selection criteria (see below) must be fulfilled for this channel.

Select Peak...:

Determine the search criterium for the target compound:

by Name

To search the target compound by name, click the arrow and select a name from the list.

 Tip:  

If you have already defined and entered the QNT Method in the sample list, the names entered in the QNT Method are listed for selection.

by Retention Time

To search the target compound by its retention time, enter the expected retention time in the Retention Time field. Or else, click the {..} button to open the Select Result Formula dialog box. Select a report variable to determine the retention time.

Enter the size of the retention time window in the Peak Window field. To determine how this value shall be interpreted click the blue arrow and select an option from the list. Select a Window Interpretation option and a Peak Match option:

Window Interpretation: Absolute

The value is interpreted as absolute value, indicated by an A in the Peak Window.

Window Interpretation: Relative

The value is interpreted as a percentage value relative to the entered retention time, indicated by an R.

Peak Match: First

Select this option to use the first peak in the window, indicated by an F.

Peak Match: Greatest

Select this option to use the greatest peak in the window, indicated by a G.

Peak Match: Nearest

Select this option to use the peak in the window that is nearest to the entered retention time, indicated by an N.

by Greatest Height & Threshold

Select this option to use the heighest peak as the target compound if the height exceeds the specified threshold.

Enter the threshold value in the input field. Or else, click the {..} button and select a report variable from the Select Result Formula dialog box. (A User-defined Column in the sample list is especially useful for this.)

by Greatest Area & Threshold

Select this option to use the peak with the largest area as the target compound if the area exceeds the specifiedthreshold.

Enter the threshold value in the input field. Or else, click the {..} button and select a report variable from the Select Result Formula dialog box. (A user-defined column is especially useful for this.)

Mass Spectrometry Settings

Target mass:

Enter the mass of the target compound in atom mass units. Or else, click the {..} button to open the Select Result Formula dialog box and select a variable from the listed Report-Categories. (A user-defined column is especially useful for this.)

Adduct 1 (2) mass:

Option: Enter an adduct mass of the target compound (e.g., with the solvent) in atom mass units. The bunched intensities of the adduct mass range are added to the intensity of the target compound. Or else, click the {..} button and select a report variable from the Select Result Formula dialog box. (A user-defined sample list column is especially useful for this.)

 Note:

This entry is the default for the Ion present and/or Mass spectrum purity test that you can create on the next wizard pages. Instead of the adduct mass, you may enter the mass of an isotope.

Isotope bunch:

Specify which mass range(s) shall be bunched as the target compound or adduct.

Example: If the Target mass is 200 m/z and Isotope bunch is ± 0.5 m/z, all signals in the mass range from 199.5 to 200.5 m/z are bunched.

Filter Settings:

Indicates the current filter settings for spectra selection when evaluating the MS tests. To use a different setting, click Modify and change the setting in the MS Filter dialog box.

The default setting is Automatic, i.e., the MS filter settings from the channel defined in the Channel field above are used. If no MS filter settings are available (e.g., with UV channels), the Mixed filter mode is used where both the acquisition mode and the polarity are set to Any. (For more information about the filter settings, refer to MS Filter.)