[1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental) (FDB000453)
Spectrum Details
| FooDB ID: | FDB000453 |
|---|---|
| Compound name: | Theophylline |
| Spectrum type: | [1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental) |
Spectrum View
Experimental Conditions
| Sample Concentration: | 50.0 mM |
|---|---|
| Solvent: | Water |
| Sample Mass: | 9.0 mg |
| Sample Assessment: | Excellent |
| Spectrum Assessment: | Excellent |
| Instrument Type: | Bruker |
| Nucleus X: | 1H |
| Nucleus Y: | 13C |
| Frequency: | 600 MHz |
| Sample pH: | 7.00 |
| Sample Temperature: | 25.0 Celsius |
| Chemical Shift Reference: | DSS |
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of chemical shift values for the spectrum (TXT) | Download file | 114 Bytes |
| Peak Assignments (PNG) | Download file | 36 KB |
| Spectra Image with Peak Assignments (PNG) | Download file | 36 KB |
| Raw Spectrum Image (PNG) | Download file | 7.78 KB |
| nmrML File | Not Available | Not Available |
| JCAMP-DX File | Not Available | Not Available |
| Raw Free Induction Decay (FID) File for Spectral Processing (Bruker) (ZIP) | Download file | 857 KB |
| Validation Report | Not Available | Not Available |
References
- Wishart DS, Knox C, Guo AC, Eisner R, Young N, Gautam B, Hau DD, Psychogios N, Dong E, Bouatra S, Mandal R, Sinelnikov I, Xia J, Jia L, Cruz JA, Lim E, Sobsey CA, Shrivastava S, Huang P, Liu P, Fang L, Peng J, Fradette R, Cheng D, Tzur D, Clements M, Lewis A, De Souza A, Zuniga A, Dawe M, Xiong Y, Clive D, Greiner R, Nazyrova A, Shaykhutdinov R, Li L, Vogel HJ, Forsythe I: HMDB: a knowledgebase for the human metabolome. Nucleic Acids Res. 2009 Jan;37(Database issue):D603-10. doi: 10.1093/nar/gkn810. Epub 2008 Oct 25. [PubMed: 18953024 ]