Spectrum Details
FooDB ID:FDB001324
Compound name:3-Methylbutanoic acid
Spectrum type:1H NMR Spectrum (1D, 500 MHz, H2O, experimental)
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Experimental Conditions
Sample Concentration:13.0 mM
Solvent:Water
Sample Mass:0.9 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 DescriptionDownloadFile Size
List of chemical shift values for the spectrum (TXT)Download file676 Bytes
Peak Assignments (PNG)Download file110 KB
Spectra Image with Peak Assignments (PNG)Download file110 KB
Raw Spectrum Image (PNG)Download file15.2 KB
nmrML File (NMRML)Download file1.34 MB
JCAMP-DX File (JDX)Download file75.8 KB
Raw Free Induction Decay (FID) File for Spectral Processing (Varian) (ZIP)Download file181 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 ]