Pyridoxine (C8H11NO3)
BMRB entry bmse000288
Entry DOI: doi:10.13018/BMSE000288
Data source: Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Mark E. Anderson, John L. Markley
NMR-STAR file:
bmse000288.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse000288.molAll files for
bmse000288Time Domain Data:
bmse000288.zipView the GISSMO record for this entry.
Sample 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 |
|---|---|---|---|
| C4 | C5 | 58.667 | 1 |
| C3 | C6 | 61.468 | 1 |
| C1 | C7 | 18.202 | 1 |
| C5 | C8 | 138.183 | 1 |
| C8 | C9 | 163.426 | 1 |
| C7 | C10 | 141.444 | 1 |
| C6 | C11 | 146.998 | 1 |
| C2 | C12 | 127.407 | 1 |
| H19 | H16 | 4.81 | 2 |
| H20 | H17 | 4.81 | 2 |
| H17 | H18 | 4.728 | 2 |
| H18 | H19 | 4.728 | 2 |
| H15 | H20 | 2.451 | 2 |
| H14 | H21 | 2.451 | 2 |
| H13 | H22 | 2.451 | 2 |
| H16 | H23 | 7.637 | 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
![Spectrum for experiment #2: 2D [1H,1H]-TOCSY](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000288/nmr/set01/spectra/HH_TOCSY.png)
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
![Spectrum for experiment #6: 2D [1H,13C]-HSQC](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000288/nmr/set01/spectra/1H_13C_HSQC.png)