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Interpreting
Electrospray Mass Spectra |
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| Calculating Mass | |||||
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| Once the charge state of a peak is determined a mass can be calculated. On can think of the multiply charged peaks observed in an electrospray mass spectrum as multiple mass assessments of the same molecule. A more accurate assessment of the mass is obtained by averaging the calculated mass for each peak. Most electrospray software packages are set up to do this calculation for you, but it is good to know just the same, especially if one is carrying out a software validation. | |||||
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| Charge State | Calculation | Unprotonated Mass | |||
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+1 |
(379.2 - 1)*1= |
378.2 |
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+2 |
(190.1 - 1)*2= |
378.2 |
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| average |
378.2 |
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