Spectrum Details
CDB ID:CDB000001
Compound Name:Delta-9-tetrahydrocannabinol
Derivative IUPAC Name:{[(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6H,6aH,7H,8H,10aH-benzo[c]isochromen-1-yl]oxy}trimethylsilane
Derivative SMILES:CCCCCC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@@H]1C=C(C)CC[C@H]1C(C)(C)O2
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive
Splash Key:splash10-00dl-6009000000-735bce5abc1be2637810
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:C24H38O2Si
Molecular Weight (Monoisotopic Mass):386.264 Da
Derivative Type:1 TMS
Predicted by CFMID-EI, Ionization energy 70 eV fully TMS-derivatized (structure: CCCCCC1=CC2=C(C(O[Si](C)(C)C)=C1)[C@@H]1C=C(C)CC[C@H]1C(C)(C)O2)
Document DescriptionDownload
List of m/z values for the spectrumDownload file
Generated list of m/z values for the spectrumDownload file
mzML formatted fileDownload file
  1. Allen F, Pon A, Greiner R, Wishart D: Computational Prediction of Electron Ionization Mass Spectra to Assist in GC/MS Compound Identification. Anal Chem. 2016 Aug 2;88(15):7689-97. doi: 10.1021/acs.analchem.6b01622. Epub 2016 Jul 21. [PubMed: 27381172 ]