Spectrum Details
MiMe ID:MMDBc0016036
Compound Name:Bicoumanigrin
Derivative IUPAC Name:4,7-dimethoxy-5,5'-dimethyl-4',7'-bis[(trimethylsilyl)oxy]-2H,2'H-[3,3'-bichromene]-2,2'-dione
Derivative SMILES:COC1=CC(C)=C2C(OC)=C(C3=C(O[Si](C)(C)C)C4=C(C)C=C(O[Si](C)(C)C)C=C4OC3=O)C(=O)OC2=C1
Derivative InChIKey:InChIKey=DOUGHZPCQVRXKJ-UHFFFAOYSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_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:C22H18O8
Molecular Weight (Monoisotopic Mass):410.1002 Da
Derivative Type:TMS_2_1
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file769 Bytes
mzML formatted file (MZML)Download file4.63 KB
References