Spectrum Details
MiMe ID:MMDBc0017501
Compound Name:(6E)-9'-apo-rhodoxanthinone
Derivative IUPAC Name:(4E)-3,5,5-trimethyl-4-[(2E,4E,6E,8E,10E,12E,14E)-3,7,12-trimethyl-16-[(trimethylsilyl)oxy]heptadeca-2,4,6,8,10,12,14,16-octaen-1-ylidene]cyclohex-2-en-1-one
Derivative SMILES:C=C(/C=C/C=C(C)/C=C/C=C/C(C)=C/C=C/C(C)=C/C=C1/C(C)=CC(=O)CC1(C)C)O[Si](C)(C)C
Derivative InChIKey:InChIKey=JTJVMEHXWWQFSG-RXLYJAPXSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_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:C29H36O2
Molecular Weight (Monoisotopic Mass):416.2715 Da
Derivative Type:TMS_1_2
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file787 Bytes
mzML formatted file (MZML)Download file4.63 KB
References