Spectrum Details
MiMe ID:MMDBc0002634
Compound Name:Asperpyrone E
Derivative IUPAC Name:9-{5,7-dimethoxy-3-methyl-1-oxo-10-[(trimethylsilyl)oxy]-1,4-dihydrophenanthren-9-yl}-10-methoxy-2-methyl-4,5-bis[(trimethylsilyl)oxy]-8H-cyclohexa[h]chromen-8-one
Derivative SMILES:COC1=CC(OC)=C2C3=C(C(=O)C=C(C)C3)C(O[Si](C)(C)C)=C(C3=C(OC)C4=C5OC(C)=CC(O[Si](C)(C)C)=C5C(O[Si](C)(C)C)=CC4=CC3=O)C2=C1
Derivative InChIKey:InChIKey=AGSOSBAKZRVZQB-UHFFFAOYSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_3_1) - 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:C32H26O9
Molecular Weight (Monoisotopic Mass):554.1577 Da
Derivative Type:TMS_3_1
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file772 Bytes
mzML formatted file (MZML)Download file4.63 KB
References