Spectrum Details
CDB ID:CDB000744
Compound Name:Cannflavin C
Derivative IUPAC Name:8-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[(trimethylsilyl)oxy]-4H-chromen-4-one
Derivative SMILES:COC1=CC(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C/C=C(\C)CCC=C(C)C)=C3O2)=CC=C1O
Derivative InChIKey:InChIKey=PKIYSGCXNGGSRM-YBFXNURJSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive
Splash Key:Not Available
Notes:This is a predicted spectrum, and it should only be used as a guide. Further evidence is required to confirm identification.
Spectrum View
Experimental Conditions
Ionization Mode:Positive
Ionization Energy:70 eV
Chromatography Type:Gas Chromatography Column (GC)
Instrument Type:Single quadrupole, spectrum predicted by CFM-ID(EI)
Mass Resolution:0.0001 Da
Molecular Formula:C29H36O6Si
Molecular Weight (Monoisotopic Mass):508.228 Da
Derivative Type:1 TMS
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: COC1=CC(C2=CC(=O)C3=C(O)C=C(O[Si](C)(C)C)C(C/C=C(\C)CCC=C(C)C)=C3O2)=CC=C1O)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file753 Bytes
mzML formatted file (MZML)Download file4.68 KB
References
Not Available