Muco-inositol
Simulation outputs:
|
Parameter | Value |
| Field strength | 400.13(MHz) | |
| RMSD of the fit | 0.01005 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5+,6+ | |
| Note 1 | None |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| muco-Inositol | Solute | 100mM |
| D2O | Solvent | 100% |
| sodium phosphate | Buffer | 50mM |
| sodium azide | Cytocide | 500uM |
| DSS | Reference | 500uM |
Spin System Matrix
| 13 | 14 | 16 | 18 | 17 | 15 | |
|---|---|---|---|---|---|---|
| 13 | 3.868 | 7.007 | 0 | 0 | 0 | 6.227 |
| 14 | 0 | 3.996 | 7.007 | 0 | 0 | 0 |
| 16 | 0 | 0 | 3.868 | 6.227 | 0 | 0 |
| 18 | 0 | 0 | 0 | 3.868 | 7.007 | 0 |
| 17 | 0 | 0 | 0 | 0 | 3.996 | 7.007 |
| 15 | 0 | 0 | 0 | 0 | 0 | 3.868 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 3.86243 | 0.869946 | standard |
| 3.87382 | 1.0 | standard |
| 3.98611 | 0.332013 | standard |
| 3.99741 | 0.414807 | standard |
| 3.90962 | 1.0 | standard |
| 3.90336 | 1.0 | standard |
| 3.89661 | 1.0 | standard |
| 3.8937 | 1.0 | standard |
| 3.89091 | 1.0 | standard |
| 3.85756 | 0.751321 | standard |
| 3.87978 | 1.0 | standard |
| 3.97601 | 0.361215 | standard |
| 3.99983 | 0.373332 | standard |
| 3.86066 | 0.830995 | standard |
| 3.87585 | 1.00001 | standard |
| 3.98264 | 0.339394 | standard |
| 3.99811 | 0.402066 | standard |
| 3.86243 | 0.869931 | standard |
| 3.87382 | 1.0 | standard |
| 3.98611 | 0.331967 | standard |
| 3.99743 | 0.414759 | standard |
| 3.86348 | 0.893179 | standard |
| 3.8726 | 1.0 | standard |
| 3.98819 | 0.326948 | standard |
| 3.99712 | 0.420983 | standard |
| 3.86422 | 0.912643 | standard |
| 3.87173 | 1.0 | standard |
| 3.98966 | 0.324884 | standard |
| 3.99692 | 0.426382 | standard |
| 3.86469 | 0.925527 | standard |
| 3.87115 | 1.0 | standard |
| 3.99682 | 0.43024 | standard |
| 3.86491 | 0.92362 | standard |
| 3.87094 | 1.0 | standard |
| 3.99679 | 0.430225 | standard |
| 3.86511 | 0.925732 | standard |
| 3.87073 | 1.0 | standard |
| 3.99673 | 0.429348 | standard |
| 3.86533 | 0.938172 | standard |
| 3.8704 | 1.00004 | standard |
| 3.9967 | 0.434946 | standard |
| 3.86551 | 0.937168 | standard |
| 3.87025 | 1.0 | standard |
| 3.99667 | 0.433016 | standard |
| 3.86564 | 0.946947 | standard |
| 3.87008 | 1.00002 | standard |
| 3.99667 | 0.437803 | standard |
| 3.86584 | 0.951936 | standard |
| 3.8698 | 1.00004 | standard |
| 3.99668 | 0.438605 | standard |
| 3.86613 | 0.963222 | standard |
| 3.86946 | 1.00001 | standard |
| 3.99658 | 0.440632 | standard |