Spectrum Details
CDB ID:CDB000466
Compound Name:Epi-Alpha-Bisabolol
Derivative IUPAC Name:trimethyl({[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]oxy})silane
Derivative SMILES:CC(C)=CCC[C@](C)(O[Si](C)(C)C)[C@H]1CC=C(C)CC1
Derivative InChIKey:InChIKey=XKSLVSPUDWKMNV-ROUUACIJSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (1 TMS) - 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:C18H34OSi
Molecular Weight (Monoisotopic Mass):294.238 Da
Derivative Type:1 TMS
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(C)=CCC[C@](C)(O[Si](C)(C)C)[C@H]1CC=C(C)CC1)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file744 Bytes
mzML formatted file (MZML)Download file4.68 KB
References
Not Available