1H NMR Spectrum (1D, 600 MHz, H2O, experimental) (T3D4780)
Spectrum Details
| T3DB ID: | T3D4780 |
|---|---|
| Compound name: | Theophylline |
| Spectrum type: | 1H NMR Spectrum (1D, 600 MHz, H2O, experimental) |
Spectrum View
Experimental Conditions
| Sample Concentration: | 12.0 mM |
|---|---|
| Solvent: | Water |
| Sample Mass: | 0.0111 G |
| Sample Assessment: | Excellent |
| Spectrum Assessment: | Excellent |
| Instrument Type: | Varian |
| Nucleus: | 1H |
| Frequency: | 600 MHz |
| Sample pH: | 7.01 |
| 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 | 379 Bytes |
| Peak Assignments (PNG) | Download file | 93.6 KB |
| Spectra Image with Peak Assignments (PNG) | Download file | 93.6 KB |
| Raw Spectrum Image (PNG) | Download file | 12 KB |
| nmrML File (NMRML) | Download file | 1.34 MB |
| JCAMP-DX File (JDX) | Download file | 74.9 KB |
| Raw Free Induction Decay (FID) File for Spectral Processing (Varian) (ZIP) | Download file | 219 KB |
| Validation Report (TAR) | Download file | 21.5 KB |
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 ]