Pyruvic-acid
Simulation outputs:
|
Parameter | Value |
| Field strength | 499.84(MHz) | |
| RMSD of the fit | 0.00374 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6) | |
| pKa | 2.39 | |
| Note 1 | None |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| Pyruvate | Solute | 100mM |
| D2O | Solvent | 100% |
| sodium phosphate | Buffer | 50mM |
| sodium azide | Cytocide | 500uM |
| DSS | Reference | 0.1% |
Spin System Matrix
| 7 | 8 | 9 | |
|---|---|---|---|
| 7 | 2.364 | -14.9 | -14.9 |
| 8 | 0 | 2.364 | -14.9 |
| 9 | 0 | 0 | 2.364 |
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 |
|---|---|---|
| 2.364 | 1.0 | standard |
| 2.364 | 1.0 | standard |
| 2.364 | 1.0 | standard |
| 2.364 | 1.0 | standard |
| 2.364 | 1.0 | standard |
| 2.364 | 1.0 | standard |
| 2.364 | 1.0 | standard |
| 2.364 | 1.0 | standard |
| 2.364 | 1.0 | standard |
| 2.364 | 1.0 | standard |
| 2.364 | 1.0 | standard |
| 2.364 | 1.0 | standard |
| 2.364 | 1.0 | standard |
| 2.364 | 1.0 | standard |
| 2.364 | 1.0 | standard |
| 2.364 | 1.0 | standard |
| 2.364 | 1.0 | standard |
| 2.364 | 1.0 | standard |
| 2.364 | 1.0 | standard |