Spectrum Details
FooDB ID:FDB000613
Compound Name:Isotheaflavin
Derivative IUPAC Name:Not Available
Derivative SMILES:C[Si](C)(C)OC1=CC(O)=CC2=C1CC(O)C(C1=CC(O[Si](C)(C)C)=C(O)C3=C1C=C(C1OC4=CC(O)=CC(O)=C4CC1O)C=C(O)C3=O)O2
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_10) - 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:C29H24O12
Molecular Weight (Monoisotopic Mass):564.1268 Da
Derivative Type:TMS_2_10
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC1=CC(O)=CC2=C1CC(O)C(C1=CC(O[Si](C)(C)C)=C(O)C3=C1C=C(C1OC4=CC(O)=CC(O)=C4CC1O)C=C(O)C3=O)O2)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file749 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available