Sarcosine
Simulation outputs:
|
Parameter | Value |
| Field strength | 400.13(MHz) | |
| RMSD of the fit | 0.00426 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6) | |
| pKa | 2.21 | |
| pKa | 10.1 | |
| Note 1 | None |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| Sarcosine | Solute | 100mM |
| D2O | Solvent | 100% |
| sodium phosphate | Buffer | 50mM |
| sodium azide | Cytocide | 500uM |
| DSS | Reference | 500uM |
Spin System Matrix
| 7 | 8 | 9 | 10 | 11 | |
|---|---|---|---|---|---|
| 7 | 2.726 | -12.5 | -12.5 | 0 | 0 |
| 8 | 0 | 2.726 | -12.5 | 0 | 0 |
| 9 | 0 | 0 | 2.726 | 0 | 0 |
| 10 | 0 | 0 | 0 | 3.601 | -12.904 |
| 11 | 0 | 0 | 0 | 0 | 3.601 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 2.72563 | 1.0 | standard |
| 3.60155 | 0.666277 | standard |
| 2.72563 | 1.0 | standard |
| 3.60155 | 0.667089 | standard |
| 2.72563 | 1.0 | standard |
| 3.60155 | 0.667013 | standard |
| 2.72563 | 1.0 | standard |
| 3.60155 | 0.666512 | standard |
| 2.72563 | 1.0 | standard |
| 3.60155 | 0.666586 | standard |
| 2.72563 | 1.0 | standard |
| 3.60155 | 0.664594 | standard |
| 2.72563 | 1.0 | standard |
| 3.60155 | 0.665556 | standard |
| 2.72563 | 1.0 | standard |
| 3.60155 | 0.665373 | standard |
| 2.72563 | 1.0 | standard |
| 3.60155 | 0.665275 | standard |
| 2.72563 | 1.0 | standard |
| 3.60155 | 0.666669 | standard |
| 2.72563 | 1.0 | standard |
| 3.60155 | 0.666658 | standard |
| 2.72563 | 1.0 | standard |
| 3.60155 | 0.666463 | standard |
| 2.72563 | 1.0 | standard |
| 3.60155 | 0.665335 | standard |
| 2.72563 | 1.0 | standard |
| 3.60155 | 0.666192 | standard |
| 2.72563 | 1.0 | standard |
| 3.60155 | 0.665278 | standard |
| 2.72563 | 1.0 | standard |
| 3.60155 | 0.667994 | standard |
| 2.72563 | 1.0 | standard |
| 3.60155 | 0.665931 | standard |
| 2.72563 | 1.0 | standard |
| 3.60155 | 0.665392 | standard |
| 2.72563 | 1.0 | standard |
| 3.60155 | 0.666667 | standard |