Purine
Simulation outputs:
|
Parameter | Value |
| Field strength | 499.84(MHz) | |
| RMSD of the fit | 0.02063 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9) | |
| Note 1 | 10?11 |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| purine | Solute | 100mM |
| D2O | Solvent | 100% |
| sodium phosphate | Buffer | 50mM |
| sodium azide | Cytocide | 500uM |
| DSS | Reference | 500uM |
Spin System Matrix
| 10 | 11 | 12 | |
|---|---|---|---|
| 10 | 8.539 | 0.423 | 0 |
| 11 | 0 | 8.85 | 0 |
| 12 | 0 | 0 | 9.014 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| -0.587141 | 1.125e-06 | standard |
| 8.53924 | 0.962061 | standard |
| 8.85044 | 0.952618 | standard |
| 9.01415 | 1.0 | standard |
| -0.995987 | 0.000114125 | standard |
| 8.53938 | 0.942769 | standard |
| 8.85037 | 0.962262 | standard |
| 9.01406 | 1.0 | standard |
| -0.982895 | 5.1125e-05 | standard |
| 8.53929 | 0.950468 | standard |
| 8.85036 | 0.959383 | standard |
| 9.01413 | 1.0 | standard |
| -0.981208 | 2.9125e-05 | standard |
| 8.53919 | 0.953766 | standard |
| 8.85044 | 0.958838 | standard |
| 9.01414 | 1.0 | standard |
| -0.978927 | 2.3125e-05 | standard |
| 8.53919 | 0.954765 | standard |
| 8.85044 | 0.958783 | standard |
| 9.01414 | 1.0 | standard |
| -0.993309 | 1.9125e-05 | standard |
| 8.53919 | 0.954006 | standard |
| 8.85044 | 0.957267 | standard |
| 9.01414 | 1.0 | standard |
| -0.961966 | 5.125e-06 | standard |
| 8.53924 | 0.953924 | standard |
| 8.85044 | 0.95861 | standard |
| 9.01415 | 1.0 | standard |
| -0.666391 | 2.125e-06 | standard |
| 8.53924 | 0.95814 | standard |
| 8.85039 | 0.958504 | standard |
| 9.01415 | 1.0 | standard |
| -0.146952 | 1.125e-06 | standard |
| 8.53924 | 0.96198 | standard |
| 8.85044 | 0.954598 | standard |
| 9.01415 | 1.0 | standard |
| -0.587835 | 1.125e-06 | standard |
| 8.53924 | 0.962037 | standard |
| 8.85044 | 0.952589 | standard |
| 9.01415 | 1.0 | standard |
| -0.961074 | 1.125e-06 | standard |
| 8.53919 | 0.958346 | standard |
| 8.85044 | 0.958437 | standard |
| 9.01415 | 1.0 | standard |
| 8.53924 | 0.958368 | standard |
| 8.85039 | 0.958435 | standard |
| 9.01415 | 1.0 | standard |
| 8.53924 | 0.952515 | standard |
| 8.85039 | 0.952573 | standard |
| 9.01415 | 1.0 | standard |
| 8.53924 | 0.946335 | standard |
| 8.85044 | 0.96214 | standard |
| 9.01415 | 1.0 | standard |
| 8.53924 | 0.969079 | standard |
| 8.85044 | 0.952555 | standard |
| 9.01415 | 1.0 | standard |
| 8.53924 | 0.965676 | standard |
| 8.85044 | 0.94742 | standard |
| 9.01415 | 1.0 | standard |
| 8.53924 | 0.962114 | standard |
| 8.85039 | 0.962147 | standard |
| 9.01415 | 1.0 | standard |
| 8.53924 | 0.954529 | standard |
| 8.85039 | 0.954556 | standard |
| 9.01415 | 1.0 | standard |
| 8.53924 | 0.93763 | standard |
| 8.85044 | 0.963865 | standard |
| 9.01415 | 1.0 | standard |