Spectrum Details
CDB ID:CDB000018
Compound Name:Cannabigerolic acid
Derivative IUPAC Name:3-(3,7-dimethylocta-2,6-dien-1-yl)-6-pentyl-2,4-bis[(trimethylsilyl)oxy]benzoic acid
Derivative SMILES:CCCCCC1=CC(O[Si](C)(C)C)=C(CC=C(C)CCC=C(C)C)C(O[Si](C)(C)C)=C1C(=O)O
Derivative InChIKey:InChIKey=BJAMSQUBMMHFII-UHFFFAOYSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (2 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:C28H48O4Si2
Molecular Weight (Monoisotopic Mass):504.309 Da
Derivative Type:2 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[Si](C)(C)C)=C1C(=O)O)
Documentation
Document DescriptionDownload
List of m/z values for the spectrumDownload file
mzML formatted fileDownload file
References
Not Available