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Using the Isotope Calculator
Data Explorer
™
Software User’s Guide 6-17
6
To calculate a theoretical isotope distribution for doubly
sodiated and deprotonated β-cyclodextrin with
–1 charge state (m/z –1089)
With these parameters specified
The software performs
this calculation
Formula*—C42H60O30Na2 (C
42
H
60
O
30
Na
2
– 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 C
42
H
60
O
30
/2
Group type—deselected
Charge—2
Add
*Formula entry is case sensitive