(1-Amino-1-phenylmethyl)phosphonic Acid (C7H10NO3P)

View large 3D structure

BMRB entry bmse000171

Entry DOI: doi:10.13018/BMSE000171
Data source: Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Mark E. Anderson, John L. Markley

NMR-STAR file:

bmse000171.str

NMR-STAR

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Structure file (mol/sdf):

bmse000171.mol

All files for

bmse000171

Time Domain Data:

bmse000171.zip

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

Atom IDAuthor NomenclatureValueAmbiguity Code
H13H17.4404
H13H17.3964
H14H27.4404
H14H27.3964
H15H37.4404
H15H37.3964
H16H47.4404
H16H47.3964
H17H57.4404
H17H57.3964
H18H64.2391
H18H64.2021
C1C11131.3774
C1C11131.3624
C1C11130.7014
C1C11130.6824
C1C11130.3674
C1C11130.3224
C2C12131.3774
C2C12131.3624
C2C12130.7014
C2C12130.6824
C2C12130.3674
C2C12130.3224
C3C13131.3774
C3C13131.3624
C3C13130.7014
C3C13130.6824
C3C13130.3674
C3C13130.3224
C4C14131.3774
C4C14131.3624
C4C14130.7014
C4C14130.6824
C4C14130.3674
C4C14130.3224
C5C15131.3774
C5C15131.3624
C5C15130.7014
C5C15130.6824
C5C15130.3674
C5C15130.3224
C6C16137.9091
C6C16137.8671
C7C1758.3241
C7C1757.0601

NMR experiments

1: 1D 1H
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

Array spectrum for 1
Download time domain data: bmse000171_1.zip

2: 2D [1H,1H]-TOCSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

Array spectrum for 2
Download time domain data: bmse000171_2.zip

3: 1D 13C
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

Array spectrum for 3
Download time domain data: bmse000171_3.zip

4: 1D DEPT90
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

Array spectrum for 4
Download time domain data: bmse000171_4.zip

5: 1D DEPT135
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

Array spectrum for 5
Download time domain data: bmse000171_5.zip

6: 2D [1H,13C]-HSQC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

Array spectrum for 6
Download time domain data: bmse000171_6.zip