Spectrum Details
PHUB ID:PHUB000274
Compound Name:Epigallocatechin-(4b,8)-epicatechin-3-O-gallate ester
Derivative IUPAC Name:Not Available
Derivative SMILES:C[Si](C)(C)OC1=C(O)C=C(C(=O)O[C@@H]2CC3=C(O)C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC(O)=C(O)C(O)=C5)[C@@H]4O)=C3O[C@@H]2C2=CC=C(O)C(O)=C2)C=C1O
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_1_5) - 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:C37H30O17
Molecular Weight (Monoisotopic Mass):746.1483 Da
Derivative Type:TMS_1_5
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC1=C(O)C=C(C(=O)O[C@@H]2CC3=C(O)C=C(O)C([C@H]4C5=C(O)C=C(O)C=C5O[C@H](C5=CC(O)=C(O)C(O)=C5)[C@@H]4O)=C3O[C@@H]2C2=CC=C(O)C(O)=C2)C=C1O)
Documentation
Not Available
References
Not Available