Spectrum Details
CDB ID:CDB000435
Compound Name:Cannabitriol
Derivative IUPAC Name:trimethyl({[(9S,10S)-6,6,9-trimethyl-3-pentyl-9,10-bis[(trimethylsilyl)oxy]-6H,7H,8H,9H,10H-cyclohexa[c]chromen-1-yl]oxy})silane
Derivative SMILES:CCCCCC1=CC2=C(C3=C(CC[C@](C)(O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(C)(C)O2)C(O[Si](C)(C)C)=C1
Derivative InChIKey:InChIKey=WXKDDKAXHJQLIH-JDXGNMNLSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (3 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:C30H54O4Si3
Molecular Weight (Monoisotopic Mass):562.333 Da
Derivative Type:3 TMS
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCCCCC1=CC2=C(C3=C(CC[C@](C)(O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C(C)(C)O2)C(O[Si](C)(C)C)=C1)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file750 Bytes
mzML formatted file (MZML)Download file4.68 KB
References
Not Available