Spectrum Details
CDB ID:CDB000435
Compound Name:Cannabitriol
Derivative IUPAC Name:(9S,10S)-6,6,9-trimethyl-3-pentyl-1-[(trimethylsilyl)oxy]-6H,7H,8H,9H,10H-cyclohexa[c]chromene-9,10-diol
Derivative SMILES:CCCCCC1=CC2=C(C3=C(CC[C@](C)(O)[C@H]3O)C(C)(C)O2)C(O[Si](C)(C)C)=C1
Derivative InChIKey:InChIKey=AJOBQBCUJQWNQQ-UPVQGACJSA-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:C24H38O4Si
Molecular Weight (Monoisotopic Mass):418.254 Da
Derivative Type:1 TMS
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCCCCC1=CC2=C(C3=C(CC[C@](C)(O)[C@H]3O)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