Spectrum Details
FooDB ID:FDB012753
Compound Name:Pedunculagin
Derivative IUPAC Name:Not Available
Derivative SMILES:CC(C)(C)[Si](C)(C)OC1=C(O)C=C2C(=O)OC3C(O)OC4COC(=O)C5=CC(O)=C(O)C(O)=C5C5=C(C=C(O)C(O)=C5O)C(=O)OC4C3OC(=O)C3=C(C(O)=C(O)C(O)=C3)C2=C1O
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TBDMS_1_12) - 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:C34H24O22
Molecular Weight (Monoisotopic Mass):784.0759 Da
Derivative Type:TBDMS_1_12
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(C)(C)[Si](C)(C)OC1=C(O)C=C2C(=O)OC3C(O)OC4COC(=O)C5=CC(O)=C(O)C(O)=C5C5=C(C=C(O)C(O)=C5O)C(=O)OC4C3OC(=O)C3=C(C(O)=C(O)C(O)=C3)C2=C1O)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file748 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available