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The spectrum that appears along both the horizontal and vertical axes is a regular one dimensional 1 H NMR spectrum. The bulk of the peaks appear along the diagonal, while cross-peaks appear symmetrically above and below the diagonal. COSY-90 is the most common COSY experiment. In COSY-90, the p1 pulse tilts the nuclear spin by 90°.
SDBS includes 14700 1 H NMR spectra and 13000 13 C NMR spectra as well as FT-IR, Raman, ESR, and MS data. The data are stored and displayed as an image of the processed data. Annotation is achieved by a list of the chemical shifts correlated to letters which are also used to label a molecular line drawing.
Nuclear Overhauser Effect Spectroscopy (NOESY) is a 2D NMR spectroscopic method used to identify nuclear spins undergoing cross-relaxation and to measure their cross-relaxation rates. Since 1 H dipole-dipole couplings provide the primary means of cross-relaxation for organic molecules in solution, spins undergoing cross-relaxation are those ...
The heteronuclear single quantum coherence or heteronuclear single quantum correlation experiment, normally abbreviated as HSQC, is used frequently in NMR spectroscopy of organic molecules and is of particular significance in the field of protein NMR. The experiment was first described by Geoffrey Bodenhausen and D. J. Ruben in 1980. [1]
In solid-state NMR spectroscopy, magic-angle spinning (MAS) is a technique routinely used to produce better resolution NMR spectra. MAS NMR consists in spinning the sample (usually at a frequency of 1 to 130 kHz) at the magic angle θ m (ca. 54.74°, where cos 2 θ m =1/3) with respect to the direction of the magnetic field.
MetaboMiner is a tool which can be used to automatically or semi-automatically identify metabolites in complex biofluids from 2D-NMR spectra. MetaboMiner is able to handle both 1H-1H total correlation spectroscopy (TOCSY) and 1H-13C heteronuclear single quantum correlation data. It identifies compounds by comparing 2D spectral patterns in the ...
Bruker 700 MHz nuclear magnetic resonance (NMR) spectrometer. Nuclear Magnetic Resonance (NMR) basic principles. Nuclear magnetic resonance (NMR) is a physical phenomenon in which nuclei in a strong constant magnetic field are disturbed by a weak oscillating magnetic field (in the near field [1]) and respond by producing an electromagnetic signal with a frequency characteristic of the magnetic ...
Two dimensional correlation analysis allows one to determine at which positions in such a measured signal there is a systematic change in a peak, either continuous rising or drop in intensity. 2D correlation analysis results in two complementary signals, which referred to as the 2D synchronous and 2D asynchronous spectrum.
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