Spectrum Details
CDB ID:CDB000018
Compound Name:Cannabigerolic acid
Derivative IUPAC Name:3-(3,7-dimethylocta-2,6-dien-1-yl)-2-hydroxy-6-pentyl-4-[(trimethylsilyl)oxy]benzoic acid
Derivative SMILES:CCCCCC1=CC(O[Si](C)(C)C)=C(CC=C(C)CCC=C(C)C)C(O)=C1C(=O)O
Derivative InChIKey:InChIKey=CQKIWGYSYIBUGU-UHFFFAOYSA-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:C25H40O4Si
Molecular Weight (Monoisotopic Mass):432.27 Da
Derivative Type:1 TMS
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCCCCC1=CC(O[Si](C)(C)C)=C(CC=C(C)CCC=C(C)C)C(O)=C1C(=O)O)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file748 Bytes
mzML formatted file (MZML)Download file4.68 KB
References
Not Available