Creatine-phosphate
Simulation outputs:
|
Parameter | Value |
| Field strength | 400.13(MHz) | |
| RMSD of the fit | 0.00581 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C4H10N3O5P/c1-7(2-3(8)9)4(5)6-13(10,11)12/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12) | |
| Note 1 | None |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| Phosphocreatine | Solute | 100mM |
| D2O | Solvent | 100% |
| sodium phosphate | Buffer | 50mM |
| sodium azide | Cytocide | 500uM |
| DSS | Reference | 500uM |
Spin System Matrix
| 14 | 15 | 16 | 17 | 18 | |
|---|---|---|---|---|---|
| 14 | 3.029 | -12.5 | -12.5 | 0 | 0 |
| 15 | 0 | 3.029 | -12.5 | 0 | 0 |
| 16 | 0 | 0 | 3.029 | 0 | 0 |
| 17 | 0 | 0 | 0 | 3.936 | -12.4 |
| 18 | 0 | 0 | 0 | 0 | 3.936 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 3.02904 | 1.0 | standard |
| 3.9363 | 0.66593 | standard |
| 3.02904 | 1.0 | standard |
| 3.9363 | 0.66563 | standard |
| 3.02904 | 1.0 | standard |
| 3.9363 | 0.667084 | standard |
| 3.02904 | 1.0 | standard |
| 3.9363 | 0.666888 | standard |
| 3.02904 | 1.0 | standard |
| 3.9363 | 0.666762 | standard |
| 3.02904 | 1.0 | standard |
| 3.9363 | 0.666809 | standard |
| 3.02904 | 1.0 | standard |
| 3.9363 | 0.666703 | standard |
| 3.02904 | 1.0 | standard |
| 3.9363 | 0.66731 | standard |
| 3.02904 | 1.0 | standard |
| 3.9363 | 0.665678 | standard |
| 3.02904 | 1.0 | standard |
| 3.9363 | 0.664102 | standard |
| 3.02904 | 1.0 | standard |
| 3.9363 | 0.665801 | standard |
| 3.02904 | 1.0 | standard |
| 3.9363 | 0.666979 | standard |
| 3.02904 | 1.0 | standard |
| 3.9363 | 0.666882 | standard |
| 3.02904 | 1.0 | standard |
| 3.9363 | 0.665752 | standard |
| 3.02904 | 1.0 | standard |
| 3.9363 | 0.666262 | standard |
| 3.02904 | 1.0 | standard |
| 3.9363 | 0.665666 | standard |
| 3.02904 | 1.0 | standard |
| 3.9363 | 0.66667 | standard |
| 3.02904 | 1.0 | standard |
| 3.9363 | 0.666457 | standard |
| 3.02904 | 1.0 | standard |
| 3.9363 | 0.665877 | standard |