2'-Deoxyguanosine (C10H13N5O4)
BMRB entry bmse000003
Entry DOI: doi:10.13018/BMSE000003
Data source: Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Mark E. Anderson, John L. Markley
NMR-STAR file:
bmse000003.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse000003.molAll files for
bmse000003Time Domain Data:
bmse000003.zipView the GISSMO record for this entry.
Sample and instrument details are given with the spectrum
Assigned chemical shifts
Set 1
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | C10 | 64.331 | 1 |
| C6 | C11 | 89.865 | 1 |
| C5 | C12 | 86.675 | 1 |
| C4 | C13 | 73.906 | 1 |
| C1 | C14 | 41.398 | 1 |
| C3 | C19 | 140.438 | 1 |
| H22 | H25 | 3.778 | 1 |
| H23 | H26 | 3.778 | 1 |
| H27 | H27 | 4.119 | 1 |
| H26 | H28 | 6.287 | 1 |
| H25 | H29 | 4.612 | 1 |
| H20 | H30 | 2.776 | 1 |
| H20 | H30 | 2.497 | 1 |
| H21 | H31 | 2.776 | 1 |
| H21 | H31 | 2.497 | 1 |
| H24 | H32 | 7.972 | 1 |
NMR experiments
1: 1D 1H
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
2: 2D [1H,1H]-TOCSY
Sample: Saturated1 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/bmse000003/nmr/set01/spectra/HH_TOCSY.png)
3: 1D 13C
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
4: 1D DEPT90
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
5: 1D DEPT135
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
6: 2D [1H,13C]-HSQC
Sample: Saturated1 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/bmse000003/nmr/set01/spectra/1H_13C_HSQC.png)