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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4-Hydroxyphenylacetic Acid (C8 H8 O3)

Natural Isotopic formula weight: 152.14732

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bmse000455 Data

Entry STAR file: bmse000455.str
NMR-STAR interactive viewer
Time Domain Data: bmse000455.zip
BMRB Entry DOI: doi:10.13018/BMSE000455
Mol file: bmse000455.mol

4-Hydroxyphenylacetic acid
Source:   Sigma
Solvent:   100 % D2O
Buffer:   50 mM sodium phosphate
Cytocide:   500 µM sodium azide
Reference:   500 µM DSS

Concentration and pH are given with spectrum
Spectrometer: Bruker DMX - 500 MHz

Data Source: Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Francisca Jofre, Mark E. Anderson, John L. Markley.

View the GISSMO record for this entry.

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Experimental Data:

1D 1H

Concentration: 100 mM
temperature: 298 K
pH: 7.4
1D 1H, 7.4 spectrum for 4-Hydroxyphenylacetic acid
Download data directory: bmse000455_1H.zip
View Spectral peak list

2D [1H,1H]-TOCSY

Concentration: 100 mM
temperature: 298 K
pH: 7.4
2D [1H,1H]-TOCSY, 7.4 spectrum for 4-Hydroxyphenylacetic acid
Download data directory: bmse000455_HH_TOCSY.zip

1D 13C

Concentration: 100 mM
temperature: 298 K
pH: 7.4
1D 13C, 7.4 spectrum for 4-Hydroxyphenylacetic acid
Download data directory: bmse000455_13C.zip
View Spectral peak list

1D DEPT90

Concentration: 100 mM
temperature: 298 K
pH: 7.4
1D DEPT90, 7.4 spectrum for 4-Hydroxyphenylacetic acid
Download data directory: bmse000455_DEPT_90.zip
View Spectral peak list

1D DEPT135

Concentration: 100 mM
temperature: 298 K
pH: 7.4
1D DEPT135, 7.4 spectrum for 4-Hydroxyphenylacetic acid
Download data directory: bmse000455_DEPT_135.zip
View Spectral peak list

2D [1H,13C]-HSQC

Concentration: 100 mM
temperature: 298 K
pH: 7.4
2D [1H,13C]-HSQC, 7.4 spectrum for 4-Hydroxyphenylacetic acid
Download data directory: bmse000455_1H_13C_HSQC.zip
View Spectral peak list

2D [1H,13C]-HMBC

Concentration: 100 mM
temperature: 298 K
pH: 7.4
2D [1H,13C]-HMBC, 7.4 spectrum for 4-Hydroxyphenylacetic acid
Download data directory: bmse000455_1H_13C_HMBC.zip
View Spectral peak list