Pyridoxine
Simulation outputs:
|
Parameter | Value |
| Field strength | 400.13(MHz) | |
| RMSD of the fit | 0.01200 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3 | |
| Note 1 | 17,18?19,20 |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| Pyridoxine | Solute | 100mM |
| D2O | Solvent | 100% |
| sodium phosphate | Buffer | 50mM |
| sodium azide | Cytocide | 500uM |
| DSS | Reference | 500uM |
Spin System Matrix
| 13 | 14 | 15 | 16 | 17 | 18 | 19 | 20 | |
|---|---|---|---|---|---|---|---|---|
| 13 | 2.45 | -14.9 | -14.9 | 0 | 0 | 0 | 0 | 0 |
| 14 | 0 | 2.45 | -14.9 | 0 | 0 | 0 | 0 | 0 |
| 15 | 0 | 0 | 2.45 | 0 | 0 | 0 | 0 | 0 |
| 16 | 0 | 0 | 0 | 7.637 | 0 | 0 | 0 | 0 |
| 17 | 0 | 0 | 0 | 0 | 4.811 | -12.4 | 0 | 0 |
| 18 | 0 | 0 | 0 | 0 | 0 | 4.811 | 0 | 0 |
| 19 | 0 | 0 | 0 | 0 | 0 | 0 | 4.728 | -12.4 |
| 20 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 4.728 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
Help
To zoom into a region, draw a box around it.Hover over the x/y-axis and use mouse-wheel to zoom in/out.
Hover over the x/y-axis hold down left-button to move around the spectra.
(De)activate a spectrum by clicking on its legend.
| PPM | Amplitude | Peak Type |
|---|---|---|
| 2.45049 | 1.0 | standard |
| 4.7283 | 0.667298 | standard |
| 4.81083 | 0.667424 | standard |
| 7.63724 | 0.333137 | standard |
| 2.45049 | 1.0 | standard |
| 4.7289 | 0.723116 | standard |
| 4.81023 | 0.723379 | standard |
| 7.63724 | 0.332809 | standard |
| 2.45049 | 1.0 | standard |
| 4.72843 | 0.692809 | standard |
| 4.8107 | 0.692646 | standard |
| 7.63724 | 0.333269 | standard |
| 2.45049 | 1.0 | standard |
| 4.72835 | 0.681309 | standard |
| 4.81079 | 0.681605 | standard |
| 7.63724 | 0.333259 | standard |
| 2.45049 | 1.0 | standard |
| 4.72833 | 0.678413 | standard |
| 4.8108 | 0.678415 | standard |
| 7.63724 | 0.332975 | standard |
| 2.45049 | 1.0 | standard |
| 4.72832 | 0.676059 | standard |
| 4.81081 | 0.675941 | standard |
| 7.63724 | 0.332865 | standard |
| 2.45049 | 1.0 | standard |
| 4.72831 | 0.668925 | standard |
| 4.81083 | 0.668689 | standard |
| 7.63724 | 0.332957 | standard |
| 2.45049 | 1.0 | standard |
| 4.7283 | 0.667649 | standard |
| 4.81083 | 0.667513 | standard |
| 7.63724 | 0.333176 | standard |
| 2.45049 | 1.0 | standard |
| 4.7283 | 0.667027 | standard |
| 4.81083 | 0.666937 | standard |
| 7.63724 | 0.333166 | standard |
| 2.45049 | 1.0 | standard |
| 4.7283 | 0.667016 | standard |
| 4.81083 | 0.666943 | standard |
| 7.63724 | 0.333435 | standard |
| 2.45049 | 1.0 | standard |
| 4.7283 | 0.666875 | standard |
| 4.81083 | 0.667048 | standard |
| 7.63724 | 0.333256 | standard |
| 2.45049 | 1.0 | standard |
| 4.7283 | 0.66658 | standard |
| 4.81083 | 0.666676 | standard |
| 7.63724 | 0.333145 | standard |
| 2.45049 | 1.0 | standard |
| 4.7283 | 0.666994 | standard |
| 4.81083 | 0.666848 | standard |
| 7.63724 | 0.333434 | standard |
| 2.45049 | 1.0 | standard |
| 4.7283 | 0.666987 | standard |
| 4.81083 | 0.666782 | standard |
| 7.63724 | 0.333132 | standard |
| 2.45049 | 1.0 | standard |
| 4.7283 | 0.667234 | standard |
| 4.81083 | 0.667119 | standard |
| 7.63724 | 0.333327 | standard |
| 2.45049 | 1.0 | standard |
| 4.7283 | 0.666422 | standard |
| 4.81083 | 0.666945 | standard |
| 7.63724 | 0.333099 | standard |
| 2.45049 | 1.0 | standard |
| 4.7283 | 0.666537 | standard |
| 4.81083 | 0.666741 | standard |
| 7.63724 | 0.333082 | standard |
| 2.45049 | 1.0 | standard |
| 4.7283 | 0.666441 | standard |
| 4.81083 | 0.666692 | standard |
| 7.63724 | 0.332995 | standard |
| 2.45049 | 1.0 | standard |
| 4.7283 | 0.666459 | standard |
| 4.81083 | 0.666655 | standard |
| 7.63724 | 0.333139 | standard |