Spectrum Details
MiMe ID:MMDBc0000021
Compound name:cis-Aconitic acid
Spectrum type:1H NMR Spectrum (1D, 600 MHz, H2O, experimental)
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Experimental Conditions
Sample Concentration:37.0 mM
Solvent:Water
Sample Mass:0.0179 G
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 file328 Bytes
Peak Assignments (PNG)Download file96 KB
Spectra Image with Peak Assignments (PNG)Download file96 KB
Raw Spectrum Image (PNG)Download file14.6 KB
nmrML File (NMRML)Download file1.34 MB
JCAMP-DX File (JDX)Download file74.4 KB
Raw Free Induction Decay (FID) File for Spectral Processing (Varian) (ZIP)Download file1.55 MB
Validation Report (TAR)Download file19.5 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 ]