L-Tryptophan (C11H12N2O2)
BMRB entry bmse000868
Entry DOI: doi:10.13018/BMSE000868
Data source: National Magnetic Facility at Madison - Francisca Jofre, Mark E. Anderson, John L. Markley
NMR-STAR file:
bmse000868.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse000868.molAll files for
bmse000868Time Domain Data:
bmse000868.zipView the GISSMO record for this entry.
Sample and instrument details are given with the spectrum
Assigned chemical shifts
Set 1
Sample:
Conditions:
Spectrometer:
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | C1 | 122.396 | 1 |
| C2 | C2 | 124.9304 | 1 |
| C3 | C3 | 121.2524 | 1 |
| C4 | C4 | 114.8363 | 1 |
| C5 | C6 | 29.2376 | 1 |
| C6 | C5 | 127.9546 | 1 |
| C7 | C9 | 110.55 | 1 |
| C8 | C7 | 129.6 | 1 |
| C9 | C10 | 57.8071 | 1 |
| C10 | C8 | 139.11 | 1 |
| C11 | C11 | 177.34 | 1 |
| H16 | H16 | 7.1964 | 1 |
| H17 | H17 | 7.2789 | 1 |
| H18 | H18 | 7.726 | 1 |
| H19 | H19 | 7.5336 | 1 |
| H20 | H21 | 3.3054 | 2 |
| H21 | H22 | 3.4818 | 2 |
| H22 | H20 | 7.3088 | 1 |
| H23 | H23 | 4.046 | 1 |
NMR experiments
1: 1D 1H
Sample: saturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz
2: 2D [1H,1H]-TOCSY
Sample: saturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz
![Spectrum for experiment #2: 2D [1H,1H]-TOCSY](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000868/nmr/set01/spectra/HH_TOCSY/00.png)
3: 1D DEPT90
Sample: saturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz
4: 1D DEPT135
Sample: saturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz
5: 2D [1H,13C]-HSQC
Sample: saturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz
![Spectrum for experiment #5: 2D [1H,13C]-HSQC](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000868/nmr/set01/spectra/1H_13C_HSQC/00.png)
6: 2D [1H,13C]-HMBC
Sample: saturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz
![Spectrum for experiment #6: 2D [1H,13C]-HMBC](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000868/nmr/set01/spectra/1H_13C_HMBC/00.png)
7: 2D [1H,1H]-COSY
Sample: saturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 600MHz
![Spectrum for experiment #7: 2D [1H,1H]-COSY](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000868/nmr/set01/spectra/HH_COSY/00.png)