Spectrum Details
FooDB ID:FDB012811
Compound name:Ergocalciferol
Spectrum type:1H NMR Spectrum (1D, 600 MHz, CDCl3, experimental)
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Experimental Conditions
Sample Concentration:24.0 mM
Solvent:CDCl3
Sample Mass:9.4 mg
Sample Assessment:Excellent
Spectrum Assessment:Excellent
Instrument Type:Bruker
Nucleus:1H
Frequency:600 MHz
Sample pH:Not Applic
Sample Temperature:25.0 Celsius
Chemical Shift Reference:TMS
Documentation
Document DescriptionDownloadFile Size
List of chemical shift values for the spectrum (TXT)Download file3.96 KB
Peak Assignments (PNG)Download file258 KB
Spectra Image with Peak Assignments (PNG)Download file258 KB
Raw Spectrum Image (PNG)Download file7.85 KB
nmrML File (NMRML)Download file1.35 MB
JCAMP-DX File (JDX)Download file108 KB
Raw Free Induction Decay (FID) File for Spectral Processing (Bruker) (ZIP)Download file180 KB
Validation Report (TAR)Download file27.5 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 ]