Spectrum Details
CDB ID:CDB000571
Compound Name:beta-Irone
Derivative IUPAC Name:trimethyl({[(3E)-4-[(5R)-2,5,6,6-tetramethylcyclohex-1-en-1-yl]buta-1,3-dien-2-yl]oxy})silane
Derivative SMILES:C=C(/C=C/C1=C(C)CC[C@@H](C)C1(C)C)O[Si](C)(C)C
Derivative InChIKey:InChIKey=KZAGMUDBVIRVDS-GCZGRYASSA-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:C17H30OSi
Molecular Weight (Monoisotopic Mass):278.207 Da
Derivative Type:1 TMS
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C=C(/C=C/C1=C(C)CC[C@@H](C)C1(C)C)O[Si](C)(C)C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file751 Bytes
mzML formatted file (MZML)Download file4.68 KB
References
Not Available