BMRB

Biological Magnetic Resonance Data Bank


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

Metoclopramide (C14 H22 N3 O2 Cl)

Natural Isotopic formula weight: 299.79638

View large 3D structure

bmse000779 Data

Entry STAR file: bmse000779.str
Time Domain Data: bmse000779.tar

Metoclopramide Hydrochloride
Source:   sigma/aldrich
Solvent:   100 % methanol
Reference:   0.05 mM TMS

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

Data Source: Madison Metabolomics Consortium - Francisca Jofre, Mark E. Anderson, John L. Markley, Ravi Rapolu.

View Assigned Chemical Shifts

Experimental Data:

1D 1H

Concentration: 100 mM
temperature: 298 K
pH: 7.4
1D 1H, 7.4 spectrum for Metoclopramide
Time Domain Data: 1H.tar
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 Metoclopramide
Time Domain Data: HH_TOCSY.tar

1D 13C

Concentration: 100 mM
temperature: 298 K
pH: 7.4
1D 13C, 7.4 spectrum for Metoclopramide
Time Domain Data: 13C.tar
View Spectral peak list

1D DEPT90

Concentration: 100 mM
temperature: 298 K
pH: 7.4
1D DEPT90, 7.4 spectrum for Metoclopramide
Time Domain Data: DEPT_90.tar
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1D DEPT135

Concentration: 100 mM
temperature: 298 K
pH: 7.4
1D DEPT135, 7.4 spectrum for Metoclopramide
Time Domain Data: DEPT_135.tar
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 Metoclopramide
Time Domain Data: 1H_13C_HSQC.tar
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 Metoclopramide
Time Domain Data: 1H_13C_HMBC.tar

2D [1H,1H]-COSY

Concentration: 100 mM
temperature: 298 K
pH: 7.4
2D [1H,1H]-COSY, 7.4 spectrum for Metoclopramide
Time Domain Data: HH_COSY.tar