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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Anthranilic Acid (C7H7NO2)

View large 3D structure

BMRB entry bmse000067

Entry DOI: doi:10.13018/BMSE000067
Data source: Madison Metabolomics Consortium - Francisca Jofre, Mark E. Anderson, John L. Markley

NMR-STAR file: bmse000067.str
NMR-STAR interactive viewer
Mol file: bmse000067.mol
All files for bmse000067
Time Domain Data: bmse000067.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
C1C1120.751
C1C1120.434
C2C2120.751
C2C2120.434
C3C3133.686
C4C4134.777
C5C5150.314
C6C6123.52
C7C7178.904
H11H116.828
H12H126.828
H13H137.691
H14H147.286

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

Array spectrum for 1
Download time domain data: bmse000067_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

Array spectrum for 2
Download time domain data: bmse000067_2.zip

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

Array spectrum for 3
Download time domain data: bmse000067_3.zip

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

Array spectrum for 4
Download time domain data: bmse000067_4.zip

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

Array spectrum for 5
Download time domain data: bmse000067_5.zip

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

Array spectrum for 6
Download time domain data: bmse000067_6.zip

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

Array spectrum for 7
Download time domain data: bmse000067_7.zip

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

Array spectrum for 8
Download time domain data: bmse000067_8.zip

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

Array spectrum for 9
Download time domain data: bmse000067_9.zip

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

Array spectrum for 10
Download time domain data: bmse000067_10.zip

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

Download time domain data: bmse000067_11.zip