Spectrum Details
PHUB ID:PHUB002130
Compound Name:Daidzein-4',7-diglucuronide
Derivative IUPAC Name:Not Available
Derivative SMILES:C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)C=C4)=COC3=C2)[C@H](O)[C@@H](O)[C@@H]1O
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 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:C27H26O16
Molecular Weight (Monoisotopic Mass):606.1221 Da
Derivative Type:TMS_1_1
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC(=O)[C@H]1O[C@@H](OC2=CC=C3C(=O)C(C4=CC=C(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)C=C4)=COC3=C2)[C@H](O)[C@@H](O)[C@@H]1O)
Documentation
Not Available
References
Not Available