Spectrum Details
FooDB ID:FDB012811
Compound name:Ergocalciferol
Spectrum type:[1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, CDCl3, experimental)
Spectrum View
Experimental Conditions
Sample Concentration:24.0 mM
Solvent:CDCl3
Sample Mass:9.4 mg
Sample Assessment:Excellent
Spectrum Assessment:Excellent
Instrument Type:Bruker
Nucleus X:1H
Nucleus Y:13C
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 file1.58 KB
Peak Assignments (PNG)Download file45.6 KB
Spectra Image with Peak Assignments (PNG)Download file45.6 KB
Raw Spectrum Image (PNG)Download file6.56 KB
nmrML FileNot AvailableNot Available
JCAMP-DX FileNot AvailableNot Available
Raw Free Induction Decay (FID) File for Spectral Processing (Bruker) (ZIP)Download file1.44 MB
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 ]