Xanthosine (C10H12N4O6)
BMRB entry bmse000128
Entry DOI: doi:10.13018/BMSE000128
Data source: Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Mark E. Anderson, John L. Markley
NMR-STAR file:
bmse000128.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse000128.molAll files for
bmse000128Time Domain Data:
bmse000128.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: 10.5
Spectrometer: Bruker DMX - 400MHz
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C9 | C11 | 90.661 | 1 |
| C6 | C12 | 75.974 | 1 |
| C5 | C13 | 73.558 | 1 |
| C3 | C14 | 88.532 | 1 |
| C1 | C15 | 64.356 | 1 |
| C7 | C16 | 155.855 | 4 |
| C7 | C16 | 118.207 | 4 |
| C2 | C17 | 140.061 | 1 |
| C4 | C18 | 155.855 | 4 |
| C4 | C18 | 118.207 | 4 |
| C8 | C19 | 163.747 | 4 |
| C8 | C19 | 162.276 | 4 |
| C10 | C20 | 163.747 | 4 |
| C10 | C20 | 162.276 | 4 |
| H27 | H21 | 5.854 | 1 |
| H26 | H22 | 4.762 | 1 |
| H25 | H23 | 4.401 | 1 |
| H24 | H24 | 4.255 | 1 |
| H23 | H27 | 7.863 | 1 |
NMR experiments
1: 1D 1H
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 10.5
Spectrometer: Bruker DMX - 400MHz
2: 2D [1H,1H]-TOCSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 10.5
Spectrometer: Bruker DMX - 400MHz
![Spectrum for experiment #2: 2D [1H,1H]-TOCSY](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000128/nmr/set01/spectra/HH_TOCSY.png)
3: 1D 13C
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 10.5
Spectrometer: Bruker DMX - 400MHz
4: 1D DEPT90
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 10.5
Spectrometer: Bruker DMX - 400MHz
5: 1D DEPT135
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 10.5
Spectrometer: Bruker DMX - 400MHz
6: 2D [1H,13C]-HSQC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 10.5
Spectrometer: Bruker DMX - 400MHz
![Spectrum for experiment #6: 2D [1H,13C]-HSQC](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000128/nmr/set01/spectra/1H_13C_HSQC.png)