Methanol
Simulation outputs:
|
Parameter | Value |
| Field strength | 400.13(MHz) | |
| RMSD of the fit | 0.00293 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/CH4O/c1-2/h2H,1H3 | |
| pKa | 15.5 | |
| Note 1 | None |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| Methanol | Solute | 100mM |
| D2O | Solvent | 100% |
| sodium phosphate | Buffer | 50mM |
| sodium azide | Cytocide | 500uM |
| DSS | Reference | 500uM |
Spin System Matrix
| 3 | 4 | 5 | |
|---|---|---|---|
| 3 | 3.341 | -11.5 | -11.5 |
| 4 | 0 | 3.341 | -11.5 |
| 5 | 0 | 0 | 3.341 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 3.34148 | 1.0 | standard |
| 3.34148 | 1.0 | standard |
| 3.34148 | 1.0 | standard |
| 3.34148 | 1.0 | standard |
| 3.34148 | 1.0 | standard |
| 3.34148 | 1.0 | standard |
| 3.34148 | 1.0 | standard |
| 3.34148 | 1.0 | standard |
| 3.34148 | 1.0 | standard |
| 3.34148 | 1.0 | standard |
| 3.34148 | 1.0 | standard |
| 3.34148 | 1.0 | standard |
| 3.34148 | 1.0 | standard |
| 3.34148 | 1.0 | standard |
| 3.34148 | 1.0 | standard |
| 3.34148 | 1.0 | standard |
| 3.34148 | 1.0 | standard |
| 3.34148 | 1.0 | standard |
| 3.34148 | 1.0 | standard |