Using the Isotope Calculator

To calculate a theoretical isotope distribution for doubly

sodiated and deprotonated β -cyclodextrin with6 –1 charge state (m/z –1089)

With these parameters specified The software performs this calculation

Formula*— C42H60O30Na2

(C42H60O30Na2 – H)

Group type— H

Group Count/Charge— 1

Subtract

To calculate a theoretical isotope distribution for

β-cyclodextrin with +2 charge state (m/z 522)

With these parameters specified The software performs this calculation

Formula*— C42H60O30

C42H60O30/2

Group type— deselected

Charge— 2

Add

*Formula entry is case sensitive

Data Explorer™ Software User’s Guide

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