Cytosine
Simulation outputs:
|
Parameter | Value |
| Field strength | 400.13(MHz) | |
| RMSD of the fit | 0.01002 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8) | |
| Note 1 | 9?10 |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| Cytosine | Solute | Saturated1 |
| D2O | Solvent | 100% |
| sodium phosphate | Buffer | 50mM |
| sodium azide | Cytocide | 500uM |
| DSS | Reference | 500uM |
Spin System Matrix
| 9 | 10 | |
|---|---|---|
| 9 | 5.958 | 7.006 |
| 10 | 0 | 7.486 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 5.9487 | 1.00001 | standard |
| 5.96624 | 1.00001 | standard |
| 7.47706 | 1.00001 | standard |
| 7.4946 | 1.00001 | standard |
| -0.989044 | 1.4125e-05 | standard |
| 5.86507 | 0.802744 | standard |
| 6.04009 | 1.0 | standard |
| 7.40322 | 1.0 | standard |
| 7.57824 | 0.802744 | standard |
| -0.922589 | 6.125e-06 | standard |
| 5.89697 | 0.863582 | standard |
| 6.01362 | 1.00001 | standard |
| 7.42968 | 1.00001 | standard |
| 7.54633 | 0.863582 | standard |
| -0.981109 | 4.125e-06 | standard |
| 5.91253 | 0.895788 | standard |
| 6.00004 | 1.00001 | standard |
| 7.44326 | 1.00001 | standard |
| 7.53077 | 0.895788 | standard |
| -0.922391 | 3.125e-06 | standard |
| 5.91768 | 0.906757 | standard |
| 5.99548 | 0.999962 | standard |
| 7.44792 | 1.00001 | standard |
| 7.52562 | 0.906807 | standard |
| -0.768255 | 2.125e-06 | standard |
| 5.92174 | 0.91571 | standard |
| 5.99171 | 1.00001 | standard |
| 7.45159 | 1.00001 | standard |
| 7.52156 | 0.91571 | standard |
| -0.901859 | 1.125e-06 | standard |
| 5.93988 | 0.956919 | standard |
| 5.97486 | 1.00001 | standard |
| 7.46844 | 0.999903 | standard |
| 7.50352 | 0.956811 | standard |
| 5.94583 | 1.00001 | standard |
| 5.96912 | 1.00001 | standard |
| 7.47419 | 0.999845 | standard |
| 7.49758 | 0.999845 | standard |
| 5.9487 | 1.00001 | standard |
| 5.96624 | 1.00001 | standard |
| 7.47706 | 1.00001 | standard |
| 7.4946 | 1.00001 | standard |
| 5.95048 | 0.999737 | standard |
| 5.96456 | 0.999737 | standard |
| 7.47885 | 1.00001 | standard |
| 7.49282 | 1.00001 | standard |
| 5.95167 | 1.00001 | standard |
| 5.96337 | 1.00001 | standard |
| 7.47994 | 1.00001 | standard |
| 7.49163 | 1.00001 | standard |
| 5.95257 | 1.00001 | standard |
| 5.96257 | 1.00001 | standard |
| 7.48083 | 1.00001 | standard |
| 7.49084 | 1.00001 | standard |
| 5.95286 | 1.00001 | standard |
| 5.96218 | 1.00001 | standard |
| 7.48113 | 1.00001 | standard |
| 7.49044 | 1.00001 | standard |
| 5.95316 | 1.00001 | standard |
| 5.96188 | 1.00001 | standard |
| 7.48142 | 1.00001 | standard |
| 7.49014 | 1.00001 | standard |
| 5.95366 | 1.00001 | standard |
| 5.96139 | 1.00001 | standard |
| 7.48192 | 1.00001 | standard |
| 7.48965 | 1.00001 | standard |
| 5.95385 | 1.00001 | standard |
| 5.96119 | 1.00001 | standard |
| 7.48212 | 1.00001 | standard |
| 7.48945 | 1.00001 | standard |
| 5.95405 | 1.00001 | standard |
| 5.96099 | 1.00001 | standard |
| 7.48231 | 1.00001 | standard |
| 7.48925 | 1.00001 | standard |
| 5.95435 | 1.00001 | standard |
| 5.96069 | 1.00001 | standard |
| 7.48261 | 1.00001 | standard |
| 7.48895 | 1.00001 | standard |
| 5.95484 | 1.00001 | standard |
| 5.9602 | 1.00001 | standard |
| 7.48311 | 1.00001 | standard |
| 7.48846 | 1.00001 | standard |