![]() ![]() When the binning command is issued in Mnova, a new spectrum with 600 data points in which every point is the sum of all the points within each bin is produced. If the size of each bin is set to 0.02 ppm (represented by the vertical grid lines in Fig. These spectra have been synthesized using 32768 data points and a spectral width of 6001.6 Hz with a spectrometer frequency of 500.13 MHz. 2: Synthesized data set comprised by 8 simulated spectra of Taurine with random chemical shifts for the CH2 protons and displayed in superimposed mode in Mnova. 1 which has been predicted using Mnova NMRPredict, seven additional spectra were created by changing the chemical shift of the CH2 protons randomly in an effort to simulate the chemical shift variability observed in real life biofluid NMR spectra.įig. Only the spectral region corresponding to the methylene protons is shown. 1: 1H-NMR spectrum of Taurine synthesized with Mnova NMRPredict. ![]()
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