Spectrum Details
MiMe ID:MMDBc0012099
Compound Name:Aculene C
Derivative IUPAC Name:(8S,8aR)-3-ethyl-6,8a-dimethyl-8-[(trimethylsilyl)oxy]-1,7,8,8a-tetrahydroazulen-1-one
Derivative SMILES:CCC1=CC(=O)[C@]2(C)C1=CC=C(C)C[C@@H]2O[Si](C)(C)C
Derivative InChIKey:InChIKey=YIHAOMDUBIFYOX-IRXDYDNUSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_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:C14H18O2
Molecular Weight (Monoisotopic Mass):218.1307 Da
Derivative Type:TMS_1_1
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file777 Bytes
mzML formatted file (MZML)Download file4.63 KB
References