Calculation of Any M⁺ Value in Mass Spectrometry

Andrew M. Kelley¹, Stephanie Garcia¹, David R. Khan¹, William G. Ambrose², Jason C. Yarbrough¹, James D. Woodyard¹ and James C. Espinosa^3,

¹Department of Chemistry and Physics, West Texas A&M University, 2501 4th Avenue, Canyon, Texas 79016, United States

²Department of Mathematics, West Texas A&M University, 2501 4th Avenue, Canyon, Texas 79016, United States

³Department of Physical Sciences, Weatherford College, 225 College Park Dr., Weatherford, Texas 76086, United States

Cite this paper:
Andrew M. Kelley, Stephanie Garcia, David R. Khan, William G. Ambrose, Jason C. Yarbrough, James D. Woodyard and James C. Espinosa. Calculation of Any M⁺ Value in Mass Spectrometry. World Journal of Chemical Education. 2020; 8(4):141-149. doi: 10.12691/wjce-8-4-1

Abstract

This paper discusses our “Dry Lab” experiment where students are shown the procedure for calculating the nominal and precise M⁺ values of a compound. However, our main focus deals with the detailed step-by-step process for calculating the precise M⁺¹ and M⁺² values of a compound, as well as any of its higher order M⁺ values, when its molecular formula is known.

Keywords:
calculation of M⁺ calculation of M⁺¹ calculation of M⁺² organic chemistry mass spectroscopy instrumental analysis

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References:

[1]	J. S. Coursey, D. J. Schwab, J. J. Tsai, and R. A. Dragoset, "Atomic Weights and Isotopic Compositions with Relative Atomic Masses", NIST Physical Measurement Laboratory, Last update: January 2015.
[2]	Commission on Isotopic Abundances and Atomic Weights, International Union of Pure and Applied Chemistry, Last update, August 21, 2018.
[3]	Meng Wang, G., F.G. Kondev, W.J. Huang, S. Naimi, and Xing Xu, "The AME2016Aatomic Mass Evaluation (II). Tables, Graphs and References", Chinese Physics C 41(3), 30003-6-30003-74, 2017.
[4]	Michael Berglund and Michael E. Wieser, "Isotopic Compositions of the Elements 2009" (IUPAC Technical Report), Pure Appl. Chem., 83(2), 397-410, 2011.
[5]	J. H. Beynon, "Mass Spectrometry and its Application to Organic Chemistry," Elsevier, Amsterdam, 1960, 296.
[6]	Joseph K. Blizstein and Jessica Hwang, "Introduction to Probability", CRC Press, Taylor & Francis Group, 2015, 14.
[7]	Harold J. Larson, "Introduction to Probability," Addison-Wesley, Publishing Company Inc., 1995, 33.