Spectrum Details
BMDB ID:BMDB0000209
Compound name:Phenylacetic acid
Spectrum type:1H NMR Spectrum (1D, 600 MHz, H2O, experimental)
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Experimental Conditions
Sample Concentration:38.0 mM
Solvent:Water
Sample Mass:0.0138 mg
Sample Assessment:Excellent
Spectrum Assessment:Excellent
Instrument Type:Varian
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 file550 Bytes
Peak Assignments (PNG)Download file105 KB
Spectra Image with Peak Assignments (PNG)Download file105 KB
Raw Spectrum Image (GIF)Download file2.98 KB
nmrML File (NMRML)Download file1.34 MB
JCAMP-DX File (JDX)Download file75.7 KB
Raw Free Induction Decay (FID) File for Spectral Processing (Varian) (ZIP)Download file1.42 MB
Validation Report (TAR)Download file20.5 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 ]