Spectrum Details
CDB ID:CDB000017
Compound Name:Delta-9-tetrahydrocannabinolic acid B
Derivative IUPAC Name:trimethylsilyl (6aR,10aS)-1-hydroxy-6,6,9-trimethyl-3-pentyl-6H,6aH,7H,8H,10aH-benzo[c]isochromene-4-carboxylate
Derivative SMILES:CCCCCC1=CC(O)=C2C(=C1C(=O)O[Si](C)(C)C)OC(C)(C)[C@@H]1CCC(C)=C[C@H]21
Derivative InChIKey:InChIKey=NSVHFHUEWVEYMX-RBUKOAKNSA-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:C25H38O4Si
Molecular Weight (Monoisotopic Mass):430.254 Da
Derivative Type:1 TMS
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCCCCC1=CC(O)=C2C(=C1C(=O)O[Si](C)(C)C)OC(C)(C)[C@@H]1CCC(C)=C[C@H]21)
Documentation
Document DescriptionDownload
List of m/z values for the spectrumDownload file
mzML formatted fileDownload file
References
Not Available