5-Methylcytosine
Simulation outputs:
|
Parameter | Value |
| Field strength | 499.84(MHz) | |
| RMSD of the fit | None | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C5H7N3O/c1-3-2-7-5(9)8-4(3)6/h2H,1H3,(H3,6,7,8,9) | |
| Note 1 | None |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 5-METHYLCYTOSINE | Solute | 100mM |
| D2O | Solvent | 100% |
| sodium phosphate | Buffer | 50mM |
| sodium azide | Cytocide | 500uM |
| DSS | Reference | 500uM |
Spin System Matrix
| 10 | 11 | 12 | 13 | |
|---|---|---|---|---|
| 10 | 1.913 | -14.9 | -14.9 | 0 |
| 11 | 0 | 1.913 | -14.9 | 0 |
| 12 | 0 | 0 | 1.913 | 0 |
| 13 | 0 | 0 | 0 | 7.313 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 1.9127 | 1.0 | standard |
| 7.3126 | 0.333248 | standard |
| 1.9127 | 1.0 | standard |
| 7.3126 | 0.332366 | standard |
| 1.9127 | 1.0 | standard |
| 7.3126 | 0.331936 | standard |
| 1.9127 | 1.0 | standard |
| 7.3126 | 0.333259 | standard |
| 1.9127 | 1.0 | standard |
| 7.3126 | 0.33245 | standard |
| 1.9127 | 1.0 | standard |
| 7.3126 | 0.333305 | standard |
| 1.9127 | 1.0 | standard |
| 7.3126 | 0.331452 | standard |
| 1.9127 | 1.0 | standard |
| 7.3126 | 0.333333 | standard |
| 1.9127 | 1.0 | standard |
| 7.3126 | 0.333333 | standard |
| 1.9127 | 1.0 | standard |
| 7.3126 | 0.333372 | standard |
| 1.9127 | 1.0 | standard |
| 7.3126 | 0.333333 | standard |
| 1.9127 | 1.0 | standard |
| 7.3126 | 0.330538 | standard |
| 1.9127 | 1.0 | standard |
| 7.3126 | 0.333272 | standard |
| 1.9127 | 1.0 | standard |
| 7.3126 | 0.333333 | standard |
| 1.9127 | 1.0 | standard |
| 7.3126 | 0.333496 | standard |
| 1.9127 | 1.0 | standard |
| 7.3126 | 0.330706 | standard |
| 1.9127 | 1.0 | standard |
| 7.3126 | 0.332561 | standard |
| 1.9127 | 1.0 | standard |
| 7.3126 | 0.331185 | standard |
| 1.9127 | 1.0 | standard |
| 7.3126 | 0.330009 | standard |