HP Data Explorer 4 Targeting Application, 6.6 Using the Elemental, Using the, Elemental, Description, application

Using the Elemental Targeting Application

	6.6 Using the Elemental	6
	Targeting Application	6
	Targeting Application

Description The Elemental Targeting application determines if observed masses in a spectrum correspond to chemical formulas you enter. This application generates a theoretical isotope pattern for the mass you enter using the Mass Resolution specified in Basic Peak Detection settings. It then compares each observed mass and isotope pattern to the theoretical mass and isotope pattern for each composition you entered, and reports an isotope match score that reflects how closely they match.

Use the Elemental Targeting application to screen a spectrum for the presence of specific chemical compounds.

Using the To use the Elemental Targeting application:

Elemental	1.	Display the spectrum of interest.
Targeting	2.	Click the Spectrum window to activate it.
application	2.	Click the Spectrum window to activate it.
	3.	From the Applications menu, select Elemental Targeting.
		The Elemental Targeting dialog box (Figure 6-20)is
		displayed.
	4.	Enter the Mass Tolerance for the evaluation.
	5.	If the displayed Mass Peak Resolution is not appropriate
		for this calculation, change the setting in the Basic
		Settings tab of the Spectrum Peak Detection Setup dialog
		box. For more information, see Section 3.2.4, Peak
		Detection Parameter Descriptions.
	6.	Enter formulas in the Element list by doing either of the
		following:
		• Click	, type a formula, select a charge state,
		then click OK.

• Click Import, then select a tab-delimited .TXT file that contains formulas and charge states.

Data Explorer™ Software User’s Guide

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