Journal of Mass SpectrometryB. V. Ioffe, D. A. Vitenberg, and I. G. Zenkevich. Calculation of Ion Compo- 565 sition in Organic High-Resolution Mass Spectrometry. Org. Mass. Spectrom., 28(8):907-913, 1993.B. V. Ioffe, D. A. Vitenberg, I. G. Zenkevich, Calculation of ion ...
accuracy and precision of the instrument in question. Too few ions leads to poor ion statistics and too many ions can lead to detector saturation, both of which result in a greater variation in the standard deviation of repeat measurements and will adversely influence calculation of the RMS erro...
Through calculating the exact mass distribution of these isotopes in the isotopic peaks, Miura and coworkers successfully assigned the molecular formula of CTU guanamine [138]. Several calculation methods have been developed to calculate the elemental composition of a given molecular ion based on the...
High mass accuracy is desired as it allows for unambiguous determination of GAG composition: degree of polymerization, number of sulfo modifications and number of acetyl groups can be assigned by mathematical calculation. A standard approach to matching composition is using a table of mass values for...
Statistical analysis of dissolved organic matter based on high-resolution mass spectrometry About iDOM is a multifunctional tool that facilitates basic analyses, such as the calculation of molecular traits, the assignment of molecular classes, and the evaluation of chemical diversity and dissimilarity. It...
Nagy, B. et al. Structure of the dihydrolipoamide succinyltransferase (E2) component of the human alpha-ketoglutarate dehydrogenase complex (hKGDHc) revealed by cryo-EM and cross-linking mass spectrometry: implications for the overall hKGDHc structure.Biochim. Et. Biophys. Acta BBA Gen. Subj.1865...
Fig. 1: Ion mobility-mass spectrometry (IM-MS) experiments reveal a DNA-induced conformational change in p53, resulting in a more compact and less solvent-accessible conformation. Native mass spectra of WTp53 in the absence (A) and incubated with 0.25 equivalents ofp21RE (E). Travelling wave...
Equation1was used for the MW (M) calculation of the multiply charged species: $$ \frac{m}{z}\cdotp z-\left[\left(\mathrm{atomic}\ \mathrm{mass}\ \mathrm{of}\ \mathrm{charge}\ \mathrm{carrier}\ \left({}^1\mathrm{H}\ \mathrm{or}\ {}^{23}\mathrm{Na}\right)-\mathrm{electro...
Calculation of Ion Composition in Organic High-Resolution Mass Spectrometry Org. Mass Spectrom., 28 (1993), pp. 907-913 CrossrefView in ScopusGoogle Scholar 8 S. Guan, A.G. Marshall Resolution and Chemical Formula Identification of Aromatic Hydrocarbons and Aromatic Compounds Containing Sulfur, Nit...
The same calculation for z2 = 19 gives: M + 19 ∙ H+ / 19 = 1328.9577 or M = 1328.9577 ∙ 19–19 or M = 25,231.20 Da Both values are quite consistent and correspond closely to the expected mass of 25,232.0 Da. By going through th...