Spectrum Details
CDB ID:CDB000016
Compound Name:Delta-9-tetrahydrocannabinolic acid A
Derivative IUPAC Name:trimethylsilyl (6aR,10aR)-1-hydroxy-6,6,9-trimethyl-3-pentyl-6H,6aH,7H,8H,10aH-benzo[c]isochromene-2-carboxylate
Derivative SMILES:CCCCCC1=CC2=C(C(O)=C1C(=O)O[Si](C)(C)C)[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: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:C25H38O4Si
Molecular Weight (Monoisotopic Mass):430.254 Da
Derivative Type:1 TMS
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCCCCC1=CC2=C(C(O)=C1C(=O)O[Si](C)(C)C)[C@@H]1C=C(C)CC[C@H]1C(C)(C)O2)
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file744 Bytes
mzML formatted file (MZML)Download file4.68 KB
Not Available