Create Purification Samples Wizard:
Ion Present Test

Use this dialog box to verify whether the target compound for Autopurification and one or more adducts are present:

 

Target mass:

Indicates the mass of the target compound in atom mass units. The mass is entered on the Target Compound X page.

 

 

Adduct 1 mass:

Option: Enter an adduct mass of the target compound (e.g., with the solvent) in atom mass units. The measured value of the adduct mass is added to the value of the target compound. 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 in the sample list is especially useful for this.)

 Note:

You may enter the mass of an isotope, instead.

 

 

Adduct 2 mass:

Option: Enter a second adduct mass of the target compound (e.g., with the solvent) in atom mass units. The measured value of the adduct mass is added to the value of the target compound. Or else, click the {..} button and select a report variable from the Select Result Formula dialog box.

 Note:

You may enter the mass of an isotope, instead.

 

 

Isotope bunch:

Indicates which mass range(s) are bunched as the target compound or adduct. To change the range(s), return to the Target Compound X page.

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.

 

 

Threshold:

Enter the threshold value in [counts]. If the count of the target compound (plus optional adduct mass(es)) exceeds this value, the ion of interest is present and the condition is fulfilled.

 

For more information, refer to How to: Collecting Fractions Automatically (Autopurification)  Performing Autopurification.