Dear all,
I have a compound with molecular formula C20H29O3, the predicted m/z value from ChemDraw is 153.092 (100%), however, my real high-resolution mass spectrometry results shown 153.055 m/z for my compound. Is this variation acceptable in a high-resolution mass spectrometer?
Kindly give your valuable suggestion.
Mrs/Miss Apoorva,
The answer to your question can be found, herein: References [1-3].
Please, consider, detail on the theoretical background behind the shown equations and the corresponding references cited in these works.
[1] Stochastic Dynamic Mass Spectrometric Approach to Quantify Reserpine in Solution; Bojidarka Ivanova, Michael Spiteller Analytical Chemistry Letters, 10 (2020) 703-721; Received 13 Oct 2020, Accepted 16 Dec 2020, Published online: 28 Jan 2021 Download citation https://doi.org/10.1080/22297928.2020.1865834
[2] Steroids, 164 (2020) 108750 Stochastic dynamic mass spectrometric quantification of steroids in mixture — Part II; Bojidarka Ivanova, Michael Spiteller
[3] Journal of Molecular Liquids, 292 (2019) 111307
Stochastic dynamic electrospray ionization mass spectrometric diffusion parameters and 3D structural determination of complexes of AgI–ion – Experimental and theoretical treatment; Bojidarka Ivanova, Michael Spiteller
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