D-(+)-Mannose (C6H12O6)
BMRB entry bmse000018
Entry DOI: doi:10.13018/BMSE000018
Data source: Madison Metabolomics Consortium - Francisca Jofre, Mark E. Anderson, John L. Markley
NMR-STAR file:
bmse000018.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse000018.molAll files for
bmse000018Time Domain Data:
bmse000018.zipSample and instrument details are given with the spectrum
Assigned chemical shifts
Set 1
Sample: multiple; see NMR-STAR file
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C6 | C2 | 96.771 | 1 |
| C6 | C2 | 96.403 | 1 |
| C5 | C3 | 78.905 | 4 |
| C5 | C3 | 75.763 | 4 |
| C5 | C3 | 75.127 | 4 |
| C5 | C3 | 73.950 | 4 |
| C5 | C3 | 73.408 | 4 |
| C5 | C3 | 72.945 | 4 |
| C5 | C3 | 69.561 | 4 |
| C4 | C4 | 78.905 | 4 |
| C4 | C4 | 75.763 | 4 |
| C4 | C4 | 75.127 | 4 |
| C4 | C4 | 73.950 | 4 |
| C4 | C4 | 73.408 | 4 |
| C4 | C4 | 72.945 | 4 |
| C4 | C4 | 69.561 | 4 |
| C3 | C5 | 78.905 | 4 |
| C3 | C5 | 75.763 | 4 |
| C3 | C5 | 75.127 | 4 |
| C3 | C5 | 73.950 | 4 |
| C3 | C5 | 73.408 | 4 |
| C3 | C5 | 72.945 | 4 |
| C3 | C5 | 69.561 | 4 |
| C2 | C6 | 78.905 | 4 |
| C2 | C6 | 75.763 | 4 |
| C2 | C6 | 75.127 | 4 |
| C2 | C6 | 73.950 | 4 |
| C2 | C6 | 73.408 | 4 |
| C2 | C6 | 72.945 | 4 |
| C2 | C6 | 69.561 | 4 |
| C1 | C7 | 69.316 | 1 |
| C1 | C7 | 63.681 | 1 |
| H19 | H14 | 5.170 | 1 |
| H19 | H14 | 4.891 | 1 |
| H18 | H15 | 3.924 | 4 |
| H18 | H15 | 3.880 | 4 |
| H18 | H15 | 3.851 | 4 |
| H18 | H15 | 3.812 | 4 |
| H18 | H15 | 3.734 | 4 |
| H18 | H15 | 3.645 | 4 |
| H18 | H15 | 3.560 | 4 |
| H18 | H15 | 3.374 | 4 |
| H17 | H16 | 3.924 | 4 |
| H17 | H16 | 3.880 | 4 |
| H17 | H16 | 3.851 | 4 |
| H17 | H16 | 3.812 | 4 |
| H17 | H16 | 3.734 | 4 |
| H17 | H16 | 3.645 | 4 |
| H17 | H16 | 3.560 | 4 |
| H17 | H16 | 3.374 | 4 |
| H16 | H17 | 3.924 | 4 |
| H16 | H17 | 3.880 | 4 |
| H16 | H17 | 3.851 | 4 |
| H16 | H17 | 3.812 | 4 |
| H16 | H17 | 3.734 | 4 |
| H16 | H17 | 3.645 | 4 |
| H16 | H17 | 3.560 | 4 |
| H16 | H17 | 3.374 | 4 |
| H15 | H18 | 3.924 | 4 |
| H15 | H18 | 3.880 | 4 |
| H15 | H18 | 3.851 | 4 |
| H15 | H18 | 3.812 | 4 |
| H15 | H18 | 3.734 | 4 |
| H15 | H18 | 3.645 | 4 |
| H15 | H18 | 3.560 | 4 |
| H15 | H18 | 3.374 | 4 |
| H13 | H19 | 3.924 | 4 |
| H13 | H19 | 3.880 | 4 |
| H13 | H19 | 3.851 | 4 |
| H13 | H19 | 3.812 | 4 |
| H13 | H19 | 3.734 | 4 |
| H13 | H19 | 3.645 | 4 |
| H13 | H19 | 3.560 | 4 |
| H13 | H19 | 3.374 | 4 |
| H14 | H20 | 3.924 | 4 |
| H14 | H20 | 3.880 | 4 |
| H14 | H20 | 3.851 | 4 |
| H14 | H20 | 3.812 | 4 |
| H14 | H20 | 3.734 | 4 |
| H14 | H20 | 3.645 | 4 |
| H14 | H20 | 3.560 | 4 |
| H14 | H20 | 3.374 | 4 |
NMR experiments
1: 1D 1H, 0.5 mM
Sample: 0.5mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
2: 1D 1H, 2.0 mM
Sample: 2.0mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
3: 1D 1H
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
4: 2D [1H,1H]-TOCSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
![Spectrum for experiment #4: 2D [1H,1H]-TOCSY](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000018/nmr/set01/spectra/HH_TOCSY/00.png)
5: 1D 13C
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
6: 1D DEPT90
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
7: 1D DEPT135
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
8: 2D [1H,13C]-HSQC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
![Spectrum for experiment #8: 2D [1H,13C]-HSQC](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000018/nmr/set01/spectra/1H_13C_HSQC/00.png)
9: 2D [1H,13C]-HMBC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
![Spectrum for experiment #9: 2D [1H,13C]-HMBC](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000018/nmr/set01/spectra/1H_13C_HMBC/00.png)
10: 2D [1H,1H]-COSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
![Spectrum for experiment #10: 2D [1H,1H]-COSY](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000018/nmr/set01/spectra/HH_COSY/00.png)
11: 2D [1H,13C]-HSQC SW small
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz