Spectrum Details
MiMe ID:MMDBc0010120
Compound Name:Asperaculane B
Derivative IUPAC Name:(3aR,8S,8aR)-3-ethyl-8a-methyl-8-[(trimethylsilyl)oxy]-6-{[(trimethylsilyl)oxy]methyl}-1,3a,4,7,8,8a-hexahydroazulen-1-one
Derivative SMILES:CCC1=CC(=O)[C@@]2(C)[C@@H](O[Si](C)(C)C)CC(CO[Si](C)(C)C)=CC[C@H]12
Derivative InChIKey:InChIKey=KOKGYVQOHSIANH-HOJAQTOUSA-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:C14H20O3
Molecular Weight (Monoisotopic Mass):236.1412 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 file776 Bytes
mzML formatted file (MZML)Download file4.63 KB
References