Dear Dr.
You can send your research sample in India's top most research laboratory as like IIT'S, IISC and CSIR lab. they will take a fixed government prices
Mr. Kamatchi,
The characterization of precursor MS ions involving score functions matching between MS spectra of data-bases like NIST hasa major problem due to the often used database-search approaches. It is associated with reliability of the corresponding prediction of the MS fragment species, in particular, examining low abundance ions, because of, the MS spectra lack of isotope pattern and corresponding fragment ions of the analytes. Furthermore, the intensity values and m/z data on low abundance MS peaks can be affected on many experimental effects associated with ionization chamber, additives to mobile phase, chromatography step, employment ion hypenated analytical instrumentation, sample pretreatment steps; if any, the analyte chemical properties, matrix effect and more. Thus, the effect of experimental factors of the measurements on the MS outcomes m/z and intensity values of MS peaks are unpredictable. For these reasons, the application of database-matching algorithms to determine fragment species of analytes shows at about 20 % successfully identification. See detail on references [1,2].
[1] CHAPTER: MASS SPECTROMETRIC AND QUANTUM CHEMICAL TREATMENTS OF MOLECULAR AND IONIC INTERACTIONS OF A FLAVONOID-O-GLYCOSIDE – A STOCHASTIC DYNAMIC APPROACH; AUTHORS: B. Ivanova and M. Spiteller (2021/2022) in press.
[2] B. Ivanova, M. Spiteller, 3D mass spectrometric based structural analysis of steroids in mixture – experimental and theoretical complementary employment in stochastic dynamics and quantum chemistry, (2021/2022) in preparation.
I hope that you understand that the conclusions regarding 2D structures of analytes drawn on the base on employment of such data-bases are highly speculative. Moreover, it is well-known that ab initio prediction of MS spectra looking at only physics of collision fragment processes is, in fact, impossible, practically. Thus, it is even impossible to verify your conclusions using purely ab initio approaches, despite how accurate are their outcomes. The major reason for this is the fact that the mass spectrometric phenomena have stochastic nature.
The only method that allows any adequate deduction of 2D structures by mass spectrometry is the use of mass spectra of structurally similar analytes measured under one and the same experimental conditions with the corresponding unknown analyte of interest. However, this approach excludes from database-search method; and, generally, is a non-trivial and highly labour-cost approach.
The only method available currently world-wide for exact quantification of analytes in solution and exact 3D structural analysis mass spectrometrically is the our own authored (mine and my co-author' theory according to the shown authorship of references [1-3]) stochastic dynamic method and model equations described in references [1-3]. Only our innovative model equations accounts exactly for the measurable variable 'intensity' of MS peaks, and thus provide exact analytical information.
[3] B. Ivanova, M. Spiteller, Stochastic dynamic mass spectrometric quantification of steroids in mixture — Part II, Steroids 164 (2020) 108750
Dear Sundara Saravavan Kamatchi,
We have done a lot of work on this issue. Below given are some my papers on the similar issue. These papers may guide you. Also, MEITAM (Mersin-Turkey) is a well-equipped laboratory in this field and analyzes at reasonable prices.
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