Spectrum Details
CDB ID:CDB000304
Compound Name:Thujyl alcohol
Derivative IUPAC Name:trimethyl({[(1S,3R,4S,5R)-4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-yl]oxy})silane
Derivative SMILES:CC(C)[C@]12C[C@@H](O[Si](C)(C)C)[C@@H](C)[C@H]1C2
Derivative InChIKey:InChIKey=VGGBNVSTJGAACE-LOWDOPEQSA-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:C13H26OSi
Molecular Weight (Monoisotopic Mass):226.175 Da
Derivative Type:1 TMS
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC(C)[C@]12C[C@@H](O[Si](C)(C)C)[C@@H](C)[C@H]1C2)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file743 Bytes
mzML formatted file (MZML)Download file4.68 KB
References
Not Available