Spectrum Details
FooDB ID:FDB012614
Compound name:1-Butanol
Spectrum type:1H NMR Spectrum (1D, 600 MHz, H2O, experimental)
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Experimental Conditions
Sample Concentration:50.0 mM
Solvent:Water
Sample Mass:3.7 mg
Sample Assessment:Excellent
Spectrum Assessment:Excellent
Instrument Type:Bruker
Nucleus:1H
Frequency:600 MHz
Sample pH:7.00
Sample Temperature:25.0 Celsius
Chemical Shift Reference:DSS
Documentation
Document DescriptionDownloadFile Size
List of chemical shift values for the spectrum (TXT)Download file657 Bytes
Peak Assignments (PNG)Download file104 KB
Spectra Image with Peak Assignments (PNG)Download file104 KB
Raw Spectrum Image (PNG)Download file7.8 KB
nmrML File (NMRML)Download file1.34 MB
JCAMP-DX File (JDX)Download file76.3 KB
Raw Free Induction Decay (FID) File for Spectral Processing (Bruker) (ZIP)Download file159 KB
Validation Report (TAR)Download file21 KB
References
  1. 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 ]