Maleamic-acid
Simulation outputs:
|
Parameter | Value |
| Field strength | 499.84(MHz) | |
| RMSD of the fit | 0.02063 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C4H5NO3/c5-3(6)1-2-4(7)8/h1-2H,(H2,5,6)(H,7,8)/b2-1- | |
| Note 1 | 9?10 |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| Maleamic acid | Solute | 100mM |
| D2O | Solvent | 100% |
| sodium phosphate | Buffer | 50mM |
| sodium azide | Cytocide | 500uM |
| DSS | Reference | 500uM |
Spin System Matrix
| 9 | 10 | |
|---|---|---|
| 9 | 5.928 | 12.265 |
| 10 | 0 | 6.381 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 5.91557 | 0.899535 | standard |
| 5.94016 | 0.999918 | standard |
| 6.36925 | 1.0 | standard |
| 6.39374 | 0.899627 | standard |
| -0.944509 | 4.125e-06 | standard |
| 5.72809 | 0.290584 | standard |
| 6.03457 | 1.0 | standard |
| 6.27474 | 0.999998 | standard |
| 6.58133 | 0.290575 | standard |
| -0.902256 | 2.125e-06 | standard |
| 5.80405 | 0.426286 | standard |
| 6.0084 | 1.0 | standard |
| 6.3009 | 1.0 | standard |
| 6.50525 | 0.426286 | standard |
| -0.760717 | 1.125e-06 | standard |
| 5.83894 | 0.522861 | standard |
| 5.99223 | 1.0 | standard |
| 6.31708 | 1.0 | standard |
| 6.47037 | 0.522861 | standard |
| -0.806442 | 1.125e-06 | standard |
| 5.85004 | 0.560647 | standard |
| 5.98628 | 1.0 | standard |
| 6.32303 | 1.0 | standard |
| 6.45927 | 0.560647 | standard |
| -0.851869 | 1.125e-06 | standard |
| 5.85876 | 0.593163 | standard |
| 5.98132 | 1.0 | standard |
| 6.32799 | 1.0 | standard |
| 6.45055 | 0.593163 | standard |
| 5.89544 | 0.768212 | standard |
| 5.95682 | 0.999973 | standard |
| 6.35259 | 1.0 | standard |
| 6.41387 | 0.768249 | standard |
| 5.90684 | 0.83855 | standard |
| 5.9477 | 1.0 | standard |
| 6.36161 | 1.0 | standard |
| 6.40246 | 0.83855 | standard |
| 5.9123 | 0.876141 | standard |
| 5.94304 | 0.999937 | standard |
| 6.36637 | 1.0 | standard |
| 6.39701 | 0.876214 | standard |
| 5.91557 | 0.899564 | standard |
| 5.94016 | 0.999918 | standard |
| 6.36925 | 1.0 | standard |
| 6.39374 | 0.899656 | standard |
| 5.91775 | 0.915636 | standard |
| 5.93818 | 1.0 | standard |
| 6.37113 | 1.0 | standard |
| 6.39156 | 0.915636 | standard |
| 5.91924 | 0.927223 | standard |
| 5.93679 | 1.0 | standard |
| 6.37252 | 1.0 | standard |
| 6.39007 | 0.927223 | standard |
| 5.91983 | 0.931907 | standard |
| 5.93619 | 1.0 | standard |
| 6.37311 | 1.0 | standard |
| 6.38947 | 0.931907 | standard |
| 5.92043 | 0.936035 | standard |
| 5.9357 | 1.0 | standard |
| 6.37361 | 0.999863 | standard |
| 6.38898 | 0.935887 | standard |
| 5.92132 | 0.942931 | standard |
| 5.9349 | 1.0 | standard |
| 6.3744 | 0.999845 | standard |
| 6.38809 | 0.942765 | standard |
| 5.92162 | 0.945847 | standard |
| 5.93451 | 1.0 | standard |
| 6.3748 | 1.0 | standard |
| 6.38769 | 0.945847 | standard |
| 5.92201 | 0.948492 | standard |
| 5.93421 | 1.0 | standard |
| 6.3751 | 0.999825 | standard |
| 6.38739 | 0.948307 | standard |
| 5.92251 | 0.95304 | standard |
| 5.93371 | 1.0 | standard |
| 6.37559 | 1.0 | standard |
| 6.3868 | 0.95304 | standard |
| 5.9234 | 0.960129 | standard |
| 5.93282 | 1.0 | standard |
| 6.37648 | 1.0 | standard |
| 6.3859 | 0.960129 | standard |