Create Purification Samples Wizard:
Mass Spectrum Purity Test

Check whether the target compound is pure enough for Autopurification:

 

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. (A user-defined column is especially useful for this.)

 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.

 

 

Noise threshold:

Enter a percentage value for the noise threshold. Values measured below this threshold are regarded as noise.

 

 

Purity threshold:

Enter a percentage value for the purity threshold. If the measured value is below this threshold, purity is not sufficient. If the count value of the target compound (plus optional adduct mass(es)) exceeds this value (relative to the TIC) , the ion of interest is present and purity is sufficient. The condition is fulfilled.

 Note:

Any spikes below the noise threshold are not considered. The higher the noise threshold is set, the closer to 100% the purity threshold can be.

 

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