I have a sample of extraction that has a mixture of expected analytes. We don't have certified reference standard materials for all of the expected analytes, but we have 3 only.
This is a GC-MS analysis.
What are your thoughts for quantifying the analytes that don't have a calibration curve? Please share your experience not your suggestions, thank you.
Mr. Jaderson,
It can be carried out, the so-called exact quantitative analysis (/r/=1) only within the framework of our (own authored to me and my co-author, below) innovative stochastic dynamic model formula for exact quantitative analysis of MS measurable variables. It is used without reference standard materials, because of the equation relates to other physicochemical law (Arrhenius's equation within the framework of his transition state theory.) Owing to the fact that the latter equation reflects exact and unique 3D molecular ane electronic structures of analytes, there is exact predictive capability of our formula.
Therefore, there can be determined quantitativety and 3D structurally any analyte withour IS or reference sample.
Please, consider detail on the issue in the following works [1-4]:
[1] Analytical Chemistry Letters, 10 (2020) 703-721; Stochastic Dynamic Mass Spectrometric Approach to Quantify Reserpine in Solution; Bojidarka Ivanova, Michael Spiteller;
[2] Steroids, 164 (2020) 108750 Stochastic dynamic mass spectrometric quantification of steroids in mixture — Part II; Bojidarka Ivanova, Michael Spiteller;
[3] B. Ivanova, M. Spiteller, Mass spectrometric stochastic dynamic 3D structural analysis of mixture of steroids in solution – Experimental and theoretical study, Steroids 181 (2022) 109001:
[https://www.sciencedirect.com/science/article/abs/pii/S0039128X22000393]; and
[4] B. Ivanova, M. Spiteller, Stochastic dynamic electrospray ionization mass spectrometric quantitative analysis of metronidazole in human urine, (2022) submitted.
Particularly, please, concentrate on work [4]. There are shown experimental datasets. So that, should be able to follow all calculation and computational tasks step-by-step.
Hi Bojidarka B. Ivanova , thanks for the answer.
Your reference [4] isn't published yet, how can I read it?
Your reference [1] seems to complicated to understand.
Can you recommend a much easier document to read which is available online or you can share it with us?
Yes and no! Yes, if you ASSUME that the molecule has the same or similar structure and thus same or similar 'relative response factor (RRF)'. This is a big ASSUMPTION (does an ester have the same RRF as its organic acid?)! However, you can use the same RRF for an acetyl group no matter it origin (side group from your molecule).
- Badges
- Science topic