BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Adenosine (C10H13N5O4)

View large 3D structure

BMRB entry bmse000061

Entry DOI: doi:10.13018/BMSE000061
Data source: Madison Metabolomics Consortium - Francisca Jofre, Mark E. Anderson, John L. Markley, Melanie E. Ulrich

NMR-STAR file: bmse000061.str
NMR-STAR interactive viewer
Mol file: bmse000061.mol
All files for bmse000061
Time Domain Data: bmse000061.zip

View the GISSMO record for this entry.

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1
Sample: multiple; see NMR-STAR file
Conditions: temperature: 298K, pH: 7.4
Spectrometer: multiple; see NMR-STAR file

Atom IDAuthor NomenclatureValueAmbiguity Code
C2C1155.31
C3C2143.361
C1C364.271
C5C4121.91
C8C5158.431
C9C6151.21
C4C788.631
C6C873.421
C7C976.431
C10C1091.071
H22H208.191
H23H218.311
H20H223.881
H21H233.881
H24H244.291
H25H254.431
H26H264.791
H27H276.051

NMR experiments

1: 1D 1H, 0.5 mM
Sample: 0.5mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

 spectrum for 1
Download time domain data: bmse000061_1.zip

2: 1D 1H, 2.0 mM
Sample: 2.0mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

 spectrum for 2
Download time domain data: bmse000061_2.zip

3: 1D 1H
Sample: saturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

 spectrum for 3
Download time domain data: bmse000061_3.zip

4: 2D [1H,1H]-TOCSY
Sample: saturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

 spectrum for 4
Download time domain data: bmse000061_4.zip

5: 1D 13C
Sample: saturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

 spectrum for 5
Download time domain data: bmse000061_5.zip

6: 1D DEPT90
Sample: saturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

 spectrum for 6
Download time domain data: bmse000061_6.zip

7: 1D DEPT135
Sample: saturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

 spectrum for 7
Download time domain data: bmse000061_7.zip

8: 2D [1H,13C]-HSQC
Sample: saturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

 spectrum for 8
Download time domain data: bmse000061_8.zip

9: 2D [1H,13C]-HMBC
Sample: saturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

 spectrum for 9
Download time domain data: bmse000061_9.zip

10: 2D [1H,1H]-COSY
Sample: saturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

 spectrum for 10
Download time domain data: bmse000061_10.zip

11: 2D [1H,13C]-HSQC SW small
Sample: saturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

 spectrum for 11
Download time domain data: bmse000061_11.zip