Spectrum Details
MiMe ID:MMDBc0018772
Compound Name:Hericenone C
Derivative IUPAC Name:{3-[(tert-butyldimethylsilyl)oxy]-4-[(2E)-3,7-dimethyl-5-oxoocta-2,6-dien-1-yl]-2-formyl-5-methoxyphenyl}methyl hexadecanoate
Derivative SMILES:CCCCCCCCCCCCCCCC(=O)OCC1=CC(OC)=C(C/C=C(\C)CC(=O)C=C(C)C)C(O[Si](C)(C)C(C)(C)C)=C1C=O
Derivative InChIKey:InChIKey=ZOSRJTONKKDNSC-INKHBPHZSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TBDMS_1_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:C35H54O6
Molecular Weight (Monoisotopic Mass):570.392 Da
Derivative Type:TBDMS_1_1
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCCCCCCCCCCCCCCC(=O)OCC1=CC(OC)=C(C/C=C(\C)CC(=O)C=C(C)C)C(O[Si](C)(C)C(C)(C)C)=C1C=O)
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