Spectrum Details
T3DB ID:T3D4262
Compound name:3-Hydroxymethylglutaric acid
Spectrum type:1H NMR Spectrum (1D, 500 MHz, H2O, experimental)
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Experimental Conditions
Sample Concentration:40.0 mM
Solvent:Water
Sample Mass:4.5 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 file428 Bytes
Peak Assignments (PNG)Download file95.3 KB
Spectra Image with Peak Assignments (PNG)Download file95.3 KB
Raw Spectrum ImageNot AvailableNot Available
nmrML File (NMRML)Download file1.34 MB
JCAMP-DX File (JDX)Download file76.2 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 ]