Spectrum Details
PHUB ID:PHUB000275
Compound Name:Procyanidin dimer A2
Derivative IUPAC Name:Not Available
Derivative SMILES:C[Si](C)(C)O[C@@H]1[C@@H]2C3=C(O)C=C(O)C=C3O[C@@]1(C1=CC=C(O)C(O)=C1)OC1=CC(O)=C3C[C@@H](O)[C@@H](C4=CC=C(O)C(O)=C4)OC3=C12
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_1_4) - 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_1_4
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)O[C@@H]1[C@@H]2C3=C(O)C=C(O)C=C3O[C@@]1(C1=CC=C(O)C(O)=C1)OC1=CC(O)=C3C[C@@H](O)[C@@H](C4=CC=C(O)C(O)=C4)OC3=C12)
Documentation
Not Available
References
Not Available