2'-Deoxyinosine (C10H12N4O4)
BMRB entry bmse000942
Entry DOI: doi:10.13018/BMSE000942
Data source: National Magnetic Facility at Madison - Francisca Jofre, Mark E. Anderson
NMR-STAR file:
bmse000942.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse000942.molAll files for
bmse000942Time Domain Data:
bmse000942.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 - 500MHz
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C7 | C9 | 87.380 | 1 |
| C5 | C10 | 73.791 | 1 |
| C1 | C11 | 41.835 | 1 |
| C6 | C12 | 90.162 | 1 |
| C2 | C13 | 64.236 | 1 |
| C9 | C14 | 151.138 | 1 |
| C4 | C15 | 142.765 | 1 |
| C8 | C16 | 126.769 | 1 |
| C10 | C17 | 161.519 | 1 |
| C3 | C18 | 148.819 | 1 |
| H27 | H19 | 6.475 | 1 |
| H19 | H20 | 2.837 | 1 |
| H19 | H20 | 2.590 | 1 |
| H20 | H21 | 2.837 | 1 |
| H20 | H21 | 2.590 | 1 |
| H25 | H22 | 4.650 | 1 |
| H26 | H23 | 4.169 | 1 |
| H21 | H24 | 3.800 | 1 |
| H22 | H25 | 3.800 | 1 |
| H24 | H26 | 8.310 | 1 |
| H23 | H30 | 8.202 | 1 |
NMR experiments
1: 1D 1H
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
2: 2D [1H,1H]-TOCSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
![Spectrum for experiment #2: 2D [1H,1H]-TOCSY](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000942/nmr/set01/spectra/HH_TOCSY/00.png)
3: 1D 13C
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
4: 1D DEPT90
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
5: 1D DEPT135
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
6: 2D [1H,13C]-HSQC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
![Spectrum for experiment #6: 2D [1H,13C]-HSQC](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000942/nmr/set01/spectra/1H_13C_HSQC/00.png)
7: 2D [1H,13C]-HMBC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
![Spectrum for experiment #7: 2D [1H,13C]-HMBC](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000942/nmr/set01/spectra/1H_13C_HMBC/00.png)
8: 2D [1H,1H]-COSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
![Spectrum for experiment #8: 2D [1H,1H]-COSY](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000942/nmr/set01/spectra/HH_COSY/00.png)
9: 2D [1H,13C]-HMQC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
![Spectrum for experiment #9: 2D [1H,13C]-HMQC](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000942/nmr/set01/spectra/1H_13C_HMQC/00.png)
10: 2D [1H,13C]-HSQC SW small
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
![Spectrum for experiment #10: 2D [1H,13C]-HSQC SW small](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000942/nmr/set01/spectra/1H_13C_HSQC_SW_small/00.png)