Phosphoenolpyruvic-acid
Simulation outputs:
|
Parameter | Value |
| Field strength | 400.13(MHz) | |
| RMSD of the fit | 0.01054 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8) | |
| Note 1 | 11?12 |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| Phosphoenolpyruvate | Solute | 100mM |
| D2O | Solvent | 100% |
| sodium phosphate | Buffer | 50mM |
| sodium azide | Cytocide | 500uM |
| DSS | Reference | 500uM |
Spin System Matrix
| 11 | 12 | |
|---|---|---|
| 11 | 5.353 | 1.3 |
| 12 | 0 | 5.175 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 5.17469 | 0.990525 | standard |
| 5.35308 | 1.0 | standard |
| 5.18088 | 1.0 | standard |
| 5.34695 | 1.0 | standard |
| 5.17745 | 1.0 | standard |
| 5.35027 | 0.998712 | standard |
| 5.1763 | 1.0 | standard |
| 5.35152 | 1.0 | standard |
| 5.17592 | 1.0 | standard |
| 5.35182 | 0.997952 | standard |
| 5.17575 | 1.0 | standard |
| 5.35208 | 1.0 | standard |
| 5.17497 | 0.995283 | standard |
| 5.35282 | 1.00001 | standard |
| 5.17479 | 1.00003 | standard |
| 5.35293 | 1.00003 | standard |
| 5.17469 | 0.99053 | standard |
| 5.35308 | 1.0 | standard |
| 5.17469 | 0.98802 | standard |
| 5.35308 | 1.0 | standard |
| 5.17469 | 1.00014 | standard |
| 5.35308 | 0.986036 | standard |
| 5.17469 | 0.983526 | standard |
| 5.35308 | 1.0 | standard |
| 5.17469 | 1.00021 | standard |
| 5.35308 | 0.982401 | standard |
| 5.17469 | 0.980949 | standard |
| 5.35308 | 1.0 | standard |
| 5.17469 | 0.978759 | standard |
| 5.35308 | 1.0 | standard |
| 5.17469 | 1.00037 | standard |
| 5.35308 | 0.978211 | standard |
| 5.17469 | 1.00035 | standard |
| 5.35308 | 0.976223 | standard |
| 5.17469 | 1.00052 | standard |
| 5.35308 | 0.975147 | standard |
| 5.17469 | 0.968549 | standard |
| 5.35308 | 1.0 | standard |