1H NMR Spectrum (1D, 500 MHz, H2O, experimental) (CDB000383)
Spectrum Details
| CDB ID: | CDB000383 |
|---|---|
| Compound name: | Pelargonic acid |
| Spectrum type: | 1H NMR Spectrum (1D, 500 MHz, H2O, experimental) |
Spectrum View
Experimental Conditions
| Sample Concentration: | 9.0 mM |
|---|---|
| Solvent: | Water |
| Sample Mass: | 1.0 mg |
| Sample Assessment: | Excellent |
| Spectrum Assessment: | Excellent |
| Instrument Type: | Varian |
| Nucleus: | 1H |
| Frequency: | 500 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 | 659 Bytes |
| Peak Assignments (PNG) | Download file | 109 KB |
| Spectra Image with Peak Assignments (PNG) | Download file | 109 KB |
| Raw Spectrum Image (PNG) | Download file | 27.7 KB |
| nmrML File (NMRML) | Download file | 1.34 MB |
| JCAMP-DX File (JDX) | Download file | 78.8 KB |
| Raw Free Induction Decay (FID) File for Spectral Processing (Varian) (ZIP) | Download file | 180 KB |
| Validation Report (TAR) | Download file | 22 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 ]