Spectrum Details
FooDB ID:FDB000052
Compound Name:Pinotin A
Derivative IUPAC Name:Not Available
Derivative SMILES:COC1=CC(C2=[O+]C3=CC(O)=CC4=C3C(=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C(C2=CC=C(O)C(O)=C2)O4)=CC(OC)=C1O
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 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:C31H29O14
Molecular Weight (Monoisotopic Mass):625.1557 Da
Derivative Type:TMS_2_2
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: COC1=CC(C2=[O+]C3=CC(O)=CC4=C3C(=C2O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C(C2=CC=C(O)C(O)=C2)O4)=CC(OC)=C1O)
Documentation
Document DescriptionDownload
List of m/z values for the spectrumDownload file
mzML formatted fileDownload file
References
Not Available