Spectrum Details
FooDB ID:FDB000173
Compound Name:Quercetin 3,4',7-triglucoside
Derivative IUPAC Name:Not Available
Derivative SMILES:C[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3=C(OC4OC(CO)C(O)C(O)C4O)C(=O)C4=C(O)C=C(OC5OC(CO)C(O)C(O)C5O)C=C4O3)C=C2O)C(O)C1O
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_1_9) - 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:C33H40O22
Molecular Weight (Monoisotopic Mass):788.2011 Da
Derivative Type:TMS_1_9
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3=C(OC4OC(CO)C(O)C(O)C4O)C(=O)C4=C(O)C=C(OC5OC(CO)C(O)C(O)C5O)C=C4O3)C=C2O)C(O)C1O)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file739 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available