Spectrum Details
PHUB ID:PHUB001419
Compound Name:Petunidin
Derivative IUPAC Name:Not Available
Derivative SMILES:COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C=C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - GC-MS ( TMS) - 70eV, Positive
Splash Key:splash10-03di-2003009000-1a401589995291a7fec4
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:C16H13O7
Molecular Weight (Monoisotopic Mass):317.0656 Da
Derivative Type: TMS
Notes
Predicted by CFMID-EI, Ionization energy 70 eV fully TMS-derivatized (structure: COC1=CC(C2=[O+]C3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C=C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C)
Documentation
Not Available
References
Not Available