D-Mannitol (C6H14O6)
BMRB entry bmse000099
Entry DOI: doi:10.13018/BMSE000099
Data source: Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Gareth Westler, Mark E. Anderson, John L. Markley
NMR-STAR file:
bmse000099.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse000099.molAll files for
bmse000099Time Domain Data:
bmse000099.zipSample and instrument details are given with the spectrum
Assigned chemical shifts
Set 1
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | C2 | 65.92 | 1 |
| C3 | C3 | 73.489 | 1 |
| C5 | C5 | 71.919 | 1 |
| C6 | C7 | 71.919 | 1 |
| C4 | C9 | 73.489 | 1 |
| C2 | C11 | 65.92 | 1 |
| H13 | H14 | 3.757 | 1 |
| H14 | H15 | 3.757 | 1 |
| H17 | H16 | 3.754 | 1 |
| H19 | H18 | 3.792 | 1 |
| H20 | H20 | 3.792 | 1 |
| H18 | H22 | 3.754 | 1 |
| H15 | H24 | 3.757 | 1 |
| H16 | H25 | 3.757 | 1 |
NMR experiments
1: 1D 1H
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
2: 2D [1H,1H]-TOCSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
3: 1D 13C
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
4: 1D DEPT90
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
5: 1D DEPT135
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
6: 2D [1H,13C]-HSQC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
