Xanthine (C5H4N4O2)

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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

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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 IDAuthor NomenclatureValueAmbiguity Code
C1C1142.7341
C2C2116.2641
C3C3158.0241
C4C4163.344
C5C5161.9964
H12H127.7161

NMR experiments

1: 1D 1H
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 10.5
Spectrometer: Bruker DMX - 400MHz

Array spectrum for 1
Download time domain data: bmse000127_1.zip

2: 2D [1H,1H]-TOCSY
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 10.5
Spectrometer: Bruker DMX - 400MHz

Array spectrum for 2
Download time domain data: bmse000127_2.zip

3: 1D 13C
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 10.5
Spectrometer: Bruker DMX - 400MHz

Array spectrum for 3
Download time domain data: bmse000127_3.zip

4: 1D DEPT90
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 10.5
Spectrometer: Bruker DMX - 400MHz

Array spectrum for 4
Download time domain data: bmse000127_4.zip

5: 1D DEPT135
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 10.5
Spectrometer: Bruker DMX - 400MHz

Array spectrum for 5
Download time domain data: bmse000127_5.zip

6: 2D [1H,13C]-HSQC
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 10.5
Spectrometer: Bruker DMX - 400MHz

Array spectrum for 6
Download time domain data: bmse000127_6.zip