Spectrum Details
PHUB ID:PHUB000275
Compound Name:Procyanidin dimer A2
Derivative IUPAC Name:Not Available
Derivative SMILES:C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@@]1(C3=CC=C(O)C(O)=C3)OC3=CC(O)=C4C[C@@H](O[Si](C)(C)C)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C3[C@@H]2[C@H]1O[Si](C)(C)C
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_3_25) - 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:C30H24O12
Molecular Weight (Monoisotopic Mass):576.1268 Da
Derivative Type:TMS_3_25
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@@]1(C3=CC=C(O)C(O)=C3)OC3=CC(O)=C4C[C@@H](O[Si](C)(C)C)[C@@H](C5=CC=C(O)C(O)=C5)OC4=C3[C@@H]2[C@H]1O[Si](C)(C)C)
Documentation
Not Available
References
Not Available