Spectrum Details
CDB ID:CDB005499
Compound name:Nicotine
Spectrum type:1H NMR Spectrum (1D, 600 MHz, H2O, experimental)
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Experimental Conditions
Sample Concentration:30.0 mM
Solvent:Water
Sample Mass:4.9 mg
Sample Assessment:Excellent
Spectrum Assessment:Excellent
Instrument Type:Bruker
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 file1.84 KB
Peak Assignments (PNG)Download file165 KB
Spectra Image with Peak Assignments (PNG)Download file165 KB
Raw Spectrum Image (PNG)Download file9 KB
nmrML File (NMRML)Download file1.34 MB
JCAMP-DX File (JDX)Download file79.3 KB
Raw Free Induction Decay (FID) File for Spectral Processing (Bruker) (ZIP)Download file119 KB
Validation Report (TAR)Download file22.5 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 ]