BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

Choline (C5H14NO+)

View large 3D structure

BMRB entry bmse000953

Entry DOI: doi:10.13018/BMSE000953
Data source: National Magnetic Facility at Madison - Francisca Jofre, Mark E. Anderson, John L. Markley

NMR-STAR file: bmse000953.str
NMR-STAR interactive viewer
Mol file: bmse000953.mol
All files for bmse000953
Time Domain Data: bmse000953.zip

View the GISSMO record for this entry.

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1
Sample:
Conditions:
Spectrometer:

Atom IDAuthor NomenclatureValueAmbiguity Code
C5C358.3251
C4C470.1411
C4C470.1171
C4C470.0921
C1C556.6151
C1C556.5841
C1C556.5541
C2C656.6151
C2C656.5841
C2C656.5541
C3C756.6151
C3C756.5841
C3C756.5541
H19H94.0531
H20H104.0531
H17H113.5141
H18H123.5141
H8H133.1951
H9H143.1951
H12H153.1951
H11H163.1951
H13H173.1951
H14H183.1951
H15H193.1951
H16H203.1951
H10H213.1951

NMR experiments

1: 1D 1H
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz

 spectrum for 1
Download time domain data: bmse000953_1.zip

2: 2D [1H,1H]-TOCSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz

 spectrum for 2
Download time domain data: bmse000953_2.zip

3: 1D DEPT90
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz

Download time domain data: bmse000953_3.zip

4: 1D DEPT135
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz

 spectrum for 4
Download time domain data: bmse000953_4.zip

5: 2D [1H,13C]-HSQC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz

 spectrum for 5
Download time domain data: bmse000953_5.zip

6: 2D [1H,13C]-HMBC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz

 spectrum for 6
Download time domain data: bmse000953_6.zip

7: 2D [1H,1H]-COSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz

 spectrum for 7
Download time domain data: bmse000953_7.zip

8: 2D [1H,13C]-HMQC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz

 spectrum for 8
Download time domain data: bmse000953_8.zip

9: 2D [1H,13C]-HSQC SW small
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz

 spectrum for 9
Download time domain data: bmse000953_9.zip