Spectrum Details
MiMe ID:MMDBc0016673
Compound Name:Isoaurasperone A
Derivative IUPAC Name:10-{5-[(tert-butyldimethylsilyl)oxy]-6,8-dimethoxy-2-methyl-4-oxo-4H-benzo[g]chromen-7-yl}-5-hydroxy-6,8-dimethoxy-2-methyl-4H-benzo[g]chromen-4-one
Derivative SMILES:COC1=CC(OC)=C2C(O)=C3C(=O)C=C(C)OC3=C(C3=C(OC)C=C4C=C5OC(C)=CC(=O)C5=C(O[Si](C)(C)C(C)(C)C)C4=C3OC)C2=C1
Derivative InChIKey:InChIKey=IPBVIAZNMXWLRJ-UHFFFAOYSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TBDMS_1_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:C32H26O10
Molecular Weight (Monoisotopic Mass):570.1526 Da
Derivative Type:TBDMS_1_2
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: COC1=CC(OC)=C2C(O)=C3C(=O)C=C(C)OC3=C(C3=C(OC)C=C4C=C5OC(C)=CC(=O)C5=C(O[Si](C)(C)C(C)(C)C)C4=C3OC)C2=C1)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file750 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available