FMN (C17H21N4O9P)
BMRB entry bmse000257
Entry DOI: doi:10.13018/BMSE000257
Data source: Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Gareth Westler, Mark E. Anderson, John L. Markley
NMR-STAR file:
bmse000257.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse000257.molAll files for
bmse000257Time Domain Data:
bmse000257.zipSample 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 ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C12 | C16 | 74.461 | 1 |
| C6 | C18 | 67.832 | 1 |
| C5 | C19 | 50.146 | 1 |
| C2 | C20 | 23.467 | 1 |
| C1 | C21 | 21.342 | 1 |
| C4 | C30 | 119.704 | 1 |
| C3 | C31 | 132.821 | 1 |
| H45 | H39 | 4.018 | 1 |
| H42 | H41 | 4.054 | 1 |
| H43 | H42 | 4.054 | 1 |
| H40 | H43 | 4.789 | 1 |
| H41 | H44 | 4.789 | 1 |
| H36 | H45 | 2.464 | 1 |
| H37 | H46 | 2.464 | 1 |
| H35 | H47 | 2.464 | 1 |
| H33 | H48 | 2.311 | 1 |
| H32 | H49 | 2.311 | 1 |
| H34 | H50 | 2.311 | 1 |
| H39 | H51 | 7.714 | 1 |
| H38 | H52 | 7.437 | 1 |
NMR experiments
1: 1D 1H
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
2: 2D [1H,1H]-TOCSY
Sample: 100mM 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/bmse000257/nmr/set01/spectra/HH_TOCSY.png)
3: 1D 13C
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
4: 1D DEPT90
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
5: 1D DEPT135
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz
6: 2D [1H,13C]-HSQC
Sample: 100mM 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/bmse000257/nmr/set01/spectra/1H_13C_HSQC.png)