BMRB

Biological Magnetic Resonance Data Bank


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

Betaine (C5H11NO2)

View large 3D structure

BMRB entry bmse000948

Entry DOI: doi:10.13018/BMSE000948
Data source: National Magnetic Facility at Madison - Francisca Jofre, Mark E. Anderson, John L. Markley

NMR-STAR file: bmse000948.str
NMR-STAR interactive viewer
Mol file: bmse000948.mol
All files for bmse000948
Time Domain Data: bmse000948.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
C1C156.0851
C1C156.0531
C1C156.0221
C4C368.8631
C4C368.8391
C4C368.8131
C5C4172.009
C2C756.0851
C2C756.0531
C2C756.0221
C3C856.0851
C3C856.0531
C3C856.0221
H9H93.2551
H10H103.2551
H11H113.2551
H18H123.8951
H19H133.8951
H13H143.2551
H12H153.2551
H14H163.2551
H15H173.2551
H16H183.2551
H17H193.2551

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: bmse000948_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: bmse000948_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: bmse000948_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: bmse000948_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: bmse000948_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: bmse000948_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: bmse000948_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: bmse000948_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: bmse000948_9.zip