Spectrum Details
CDB ID:CDB000010
Compound Name:Cannabidiolic acid
Derivative IUPAC Name:2-hydroxy-3-[(1R,6R)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-en-1-yl]-6-pentyl-4-[(trimethylsilyl)oxy]benzoic acid
Derivative SMILES:C=C(C)[C@@H]1CCC(C)=C[C@H]1C1=C(O[Si](C)(C)C)C=C(CCCCC)C(C(=O)O)=C1O
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: C=C(C)[C@@H]1CCC(C)=C[C@H]1C1=C(O[Si](C)(C)C)C=C(CCCCC)C(C(=O)O)=C1O)
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file747 Bytes
mzML formatted file (MZML)Download file4.68 KB
Not Available