L-Tryptophan (C11H12N2O2)
BMRB entry bmse000050
Entry DOI: doi:10.13018/BMSE000050
Data source: Madison Metabolomics Consortium - Francisca Jofre, Mark E. Anderson, John L. Markley
NMR-STAR file:
bmse000050.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse000050.molAll files for
bmse000050Time Domain Data:
bmse000050.zipView the GISSMO record for this entry.
Sample and instrument details are given with the spectrum
Assigned chemical shifts
Set 1
Sample: saturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | C1 | 124.871 | 1 |
| C2 | C2 | 122.200 | 1 |
| C3 | C3 | 121.196 | 1 |
| C4 | C4 | 114.700 | 1 |
| C6 | C5 | 127.797 | 1 |
| C5 | C6 | 29.152 | 1 |
| C8 | C7 | 129.377 | 1 |
| C10 | C8 | 139.075 | 1 |
| C7 | C9 | 110.188 | 1 |
| C9 | C10 | 57.764 | 1 |
| C11 | C11 | 177.332 | 1 |
| H16 | H16 | 7.281 | 4 |
| H17 | H17 | 7.190 | 1 |
| H18 | H18 | 7.721 | 1 |
| H19 | H19 | 7.529 | 1 |
| H22 | H20 | 7.281 | 4 |
| H20 | H21 | 3.471 | 2 |
| H20 | H21 | 3.292 | 2 |
| H21 | H22 | 3.471 | 2 |
| H21 | H22 | 3.292 | 2 |
| H23 | H23 | 4.036 | 1 |
NMR experiments
1: 1D 1H
Sample: saturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
2: 2D [1H,1H]-TOCSY
Sample: saturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
3: 1D 13C
Sample: saturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
4: 1D DEPT90
Sample: saturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
5: 1D DEPT135
Sample: saturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
6: 2D [1H,13C]-HSQC
Sample: saturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
7: 2D [1H,13C]-HMBC
Sample: saturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
8: 2D [1H,1H]-COSY
Sample: saturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
9: 2D [1H,13C]-HSQC SW small
Sample: saturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz