Spectrum Details
PHUB ID:PHUB000278
Compound Name:Procyanidin dimer B3
Derivative IUPAC Name:Not Available
Derivative SMILES:C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O)=C1)[C@@H](O[Si](C)(C)C)[C@@H]2C1=C(O)C=C(O)C2=C1O[C@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)[C@@H](O)C2
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_3_23) - 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
Relative Intensity
20406080100
20406080100050100150200250300350400450500550600650700750
050100150200250300350400450500550600650700750
m/z
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:C30H26O12
Molecular Weight (Monoisotopic Mass):578.1424 Da
Derivative Type:TMS_3_23
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC1=CC(O)=C2C(=C1)O[C@H](C1=CC=C(O)C(O)=C1)[C@@H](O[Si](C)(C)C)[C@@H]2C1=C(O)C=C(O)C2=C1O[C@H](C1=CC=C(O)C(O[Si](C)(C)C)=C1)[C@@H](O)C2)
Documentation
Not Available
References
Not Available