Hmdb loader
Spectrum Details
HMDB ID:HMDB0001659
Compound name:Acetone
Spectrum type:1H NMR Spectrum (1D, 500 MHz, H2O, experimental)
Disclaimer:While we have made our best-effort to label most spectral peaks, certain spectral features may not be fully annotated in all NMR spectra
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Experimental Conditions
Sample Concentration:9.0 mM
Solvent:Water
Sample Mass:0.4 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 file250 Bytes
Peak Assignments (PNG)Download file88.2 KB
Spectra Image with Peak Assignments (PNG)Download file88.2 KB
Raw Spectrum Image (PNG)Download file22.4 KB
nmrML File (NMRML)Download file1.34 MB
JCAMP-DX File (JDX)Download file73.4 KB
Raw Free Induction Decay (FID) File for Spectral Processing (Varian) (ZIP)Download file181 KB
Validation Report (TAR)Download file20 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 ]
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