Formiminoglycine
Simulation outputs:
|
Parameter | Value |
| Field strength | 499.84(MHz) | |
| RMSD of the fit | 0.03426 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C3H6N2O2/c4-2-5-1-3(6)7/h2H,1H2,(H2,4,5)(H,6,7) | |
| Note 1 | Mixture |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| Formiminoglycine | solute | 100mM |
| D2O | solvent | 100.0% |
| DSS | reference | 0.01mg/mL |
| sodium phosphate | buffer | 50mM |
| sodium azide | cytocide | 500uM |
Spin System Matrix
| 8 | 9 | 10 | 8a | 9a | 10a | |
|---|---|---|---|---|---|---|
| 8 | 3.922 | -12.4 | 0 | 0 | 0 | 0 |
| 9 | 0 | 3.922 | 0 | 0 | 0 | 0 |
| 10 | 0 | 0 | 7.852 | 0 | 0 | 0 |
| 8a | 0 | 0 | 0 | 3.964 | -12.4 | 0 |
| 9a | 0 | 0 | 0 | 0 | 3.964 | 0 |
| 10a | 0 | 0 | 0 | 0 | 0 | 7.761 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 3.92162 | 1.0 | standard |
| 3.96368 | 1.0 | standard |
| 7.76053 | 0.499827 | standard |
| 7.85208 | 0.499827 | standard |
| 3.92163 | 1.0 | standard |
| 3.96367 | 1.0 | standard |
| 7.76053 | 0.493467 | standard |
| 7.85208 | 0.493467 | standard |
| 3.92162 | 1.0 | standard |
| 3.96367 | 1.0 | standard |
| 7.76053 | 0.497207 | standard |
| 7.85208 | 0.497207 | standard |
| 3.92162 | 1.0 | standard |
| 3.96368 | 1.0 | standard |
| 7.76053 | 0.497832 | standard |
| 7.85208 | 0.497832 | standard |
| 3.92162 | 1.0 | standard |
| 3.96368 | 1.0 | standard |
| 7.76053 | 0.498748 | standard |
| 7.85208 | 0.498748 | standard |
| 3.92162 | 1.0 | standard |
| 3.96368 | 1.0 | standard |
| 7.76053 | 0.498984 | standard |
| 7.85208 | 0.498984 | standard |
| 3.92162 | 1.0 | standard |
| 3.96368 | 1.0 | standard |
| 7.76053 | 0.499745 | standard |
| 7.85208 | 0.499745 | standard |
| 3.92162 | 1.0 | standard |
| 3.96368 | 1.0 | standard |
| 7.76053 | 0.499887 | standard |
| 7.85208 | 0.499887 | standard |
| 3.92162 | 1.0 | standard |
| 3.96368 | 1.0 | standard |
| 7.76053 | 0.499936 | standard |
| 7.85208 | 0.499936 | standard |
| 3.92162 | 1.0 | standard |
| 3.96368 | 1.0 | standard |
| 7.76053 | 0.499949 | standard |
| 7.85208 | 0.499949 | standard |
| 3.92162 | 1.0 | standard |
| 3.96368 | 1.0 | standard |
| 7.76053 | 0.499972 | standard |
| 7.85208 | 0.499972 | standard |
| 3.92162 | 1.0 | standard |
| 3.96368 | 1.0 | standard |
| 7.76053 | 0.499979 | standard |
| 7.85208 | 0.499979 | standard |
| 3.92162 | 1.0 | standard |
| 3.96368 | 1.0 | standard |
| 7.76053 | 0.499982 | standard |
| 7.85208 | 0.499982 | standard |
| 3.92162 | 1.0 | standard |
| 3.96368 | 1.0 | standard |
| 7.76053 | 0.499685 | standard |
| 7.85208 | 0.499685 | standard |
| 3.92162 | 1.0 | standard |
| 3.96368 | 1.0 | standard |
| 7.76053 | 0.499987 | standard |
| 7.85208 | 0.499987 | standard |
| 3.92162 | 1.0 | standard |
| 3.96368 | 1.0 | standard |
| 7.76053 | 0.499989 | standard |
| 7.85208 | 0.499989 | standard |
| 3.92162 | 1.0 | standard |
| 3.96368 | 1.0 | standard |
| 7.76053 | 0.49999 | standard |
| 7.85208 | 0.49999 | standard |
| 3.92162 | 1.0 | standard |
| 3.96368 | 1.0 | standard |
| 7.76053 | 0.499966 | standard |
| 7.85208 | 0.499966 | standard |
| 3.92162 | 1.0 | standard |
| 3.96368 | 1.0 | standard |
| 7.76053 | 0.499994 | standard |
| 7.85208 | 0.499994 | standard |