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Biological Magnetic Resonance Data BankA Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules |
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Xanthine (C5H4N4O2)
BMRB entry bmse000127
Entry DOI: doi:10.13018/BMSE000127
Data source: Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Francisca Jofre, Catherine Bougault, Mark E. Anderson, John L. Markley
NMR-STAR file: bmse000127.str
NMR-STAR interactive viewer
Structure file (mol/sdf): bmse000127.mol
All files for bmse000127
Time Domain Data: bmse000127.zip
View 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: 10.5
Spectrometer: Bruker DMX - 400MHz
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | C1 | 142.734 | 1 |
| C2 | C2 | 116.264 | 1 |
| C3 | C3 | 158.024 | 1 |
| C4 | C4 | 163.34 | 4 |
| C5 | C5 | 161.996 | 4 |
| H12 | H12 | 7.716 | 1 |
NMR experiments
1: 1D 1H
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 10.5
Spectrometer: Bruker DMX - 400MHz
2: 2D [1H,1H]-TOCSY
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 10.5
Spectrometer: Bruker DMX - 400MHz
3: 1D 13C
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 10.5
Spectrometer: Bruker DMX - 400MHz
4: 1D DEPT90
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 10.5
Spectrometer: Bruker DMX - 400MHz
5: 1D DEPT135
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 10.5
Spectrometer: Bruker DMX - 400MHz
6: 2D [1H,13C]-HSQC
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 10.5
Spectrometer: Bruker DMX - 400MHz
