Quantitative Chemical Analysis
Quantitative Chemical Analysis
9th Edition
ISBN: 9781464135385
Author: Daniel C. Harris
Publisher: W. H. Freeman
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Chapter 22, Problem 22.12P
Interpretation Introduction

Interpretation:

The theoretical masses of the given sucralose species has to be calculated and the difference in ppm between the observed and calculated m/z has to be found.

Concept and introduction:

Theoretical mass:

The theoretical mass of a species can be calculated by subtracting the individual mass of atoms in the species with the mass value of electron.

Expert Solution & Answer
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Explanation of Solution

The given information in figure 22-9 is recorded as follows,

The molecular formula for the sucralose is C12H19Cl3O8

The species of sucralose at m/z=395 is [12C121H1816O835Cl3]

The species of sucralose at m/z=397 is [12C121H1816O835Cl237Cl]

The species of sucralose at m/z=399 is [12C121H1816O835Cl37Cl2]

The species of sucralose at m/z=401 is [12C121H1816O837Cl3]

We can calculate the theoretical mass of the given sucralose as follows.

Atm/z=395:_[12C121H1816O835Cl3]=12C12+1H18+16O835Cl3- e-=12×12.0+ 18×1.00782+8×15.99491+3×34.9688 - 0.00055=395.00589

Atm/z=397:_[12C121H1816O835Cl237Cl]=12C12+1H18+16O835Cl2+37Cl- e-=12×12.0+ 18×1.00782+8×15.99491+2×34.9688+36.9659 - 0.00055=397.00299

Atm/z=399:_[12C121H1816O835Cl37Cl2]=12C12+1H18+16O835Cl+37Cl2- e-=12×12.0+ 18×1.00782+8×15.99491+34.9688+2×36.9659 - 0.00055=399.00009

Atm/z=401:_[12C121H1816O837Cl3]=12C12+1H18+16O837Cl3 - e-=12×12.0+ 18×1.00782+8×15.99491+3×36.9659 - 0.00055=400.99719

The difference in ppm =0.2, 0 .6, 1.2 ppm.

Conclusion

The theoretical masses of the given sucralose species was calculated and the difference in ppm between the observed and calculated m/z was found.

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