Spectrum Details
BMDB ID:BMDB0000847
Compound name:Pelargonic acid
Spectrum type:1H NMR Spectrum (1D, 500 MHz, H2O, experimental)
Spectrum View
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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 DescriptionDownloadFile Size
List of chemical shift values for the spectrum (TXT)Download file659 Bytes
Peak Assignments (PNG)Download file109 KB
Spectra Image with Peak Assignments (PNG)Download file109 KB
Raw Spectrum Image (PNG)Download file27.7 KB
nmrML File (NMRML)Download file1.34 MB
JCAMP-DX File (JDX)Download file78.8 KB
Raw Free Induction Decay (FID) File for Spectral Processing (Varian) (ZIP)Download file180 KB
Validation Report (TAR)Download file22 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 ]