DAMP (C10H14N5O6P)
BMRB entry bmse000250
Entry DOI: doi:10.13018/BMSE000250
Data source: Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Mark E. Anderson, John L. Markley
NMR-STAR file:
bmse000250.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse000250.molAll files for
bmse000250Time Domain Data:
bmse000250.zipSample and instrument details are given with the spectrum
Assigned chemical shifts
Set 1
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | C13 | 64.415 | 1 |
| C7 | C14 | 87.380 | 1 |
| C6 | C15 | 90.182 | 1 |
| C5 | C16 | 74.014 | 1 |
| C1 | C17 | 41.769 | 1 |
| C4 | C21 | 142.937 | 1 |
| C3 | C22 | 155.063 | 1 |
| H25 | H28 | 3.811 | |
| H26 | H29 | 3.811 | |
| H31 | H30 | 6.431 | |
| H30 | H31 | 4.179 | |
| H29 | H32 | 4.643 | |
| H23 | H33 | 2.804 | |
| H23 | H33 | 2.552 | |
| H24 | H34 | 2.804 | |
| H24 | H34 | 2.552 | |
| H28 | H35 | 8.278 | |
| H27 | H36 | 8.152 |
NMR experiments
1: 1D 1H
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
2: 2D [1H,1H]-TOCSY
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
![Spectrum for experiment #2: 2D [1H,1H]-TOCSY](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000250/nmr/set01/spectra/HH_TOCSY.png)
3: 1D 13C
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
4: 1D DEPT90
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
5: 1D DEPT135
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
6: 2D [1H,13C]-HSQC
Sample: Saturated1 in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
![Spectrum for experiment #6: 2D [1H,13C]-HSQC](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000250/nmr/set01/spectra/1H_13C_HSQC.png)