Spectrum Details
BMDB ID:BMDB0000876
Compound name:Vitamin D3
Spectrum type:1H NMR Spectrum (1D, 600 MHz, CDCl3, experimental)
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Experimental Conditions
Sample Concentration:31.25 mM
Solvent:CDCl3
Sample Mass:12.0 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 file4.19 KB
Peak Assignments (PNG)Download file224 KB
Spectra Image with Peak Assignments (PNG)Download file224 KB
Raw Spectrum Image (PNG)Download file8.16 KB
nmrML File (NMRML)Download file1.1 MB
JCAMP-DX File (JDX)Download file1.9 MB
Raw Free Induction Decay (FID) File for Spectral Processing (Bruker) (ZIP)Download file362 KB
Validation ReportNot AvailableNot Available
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 ]