Spectrum Details
CDB ID:CDB000005
Compound Name:Cannabigerovarinic acid
Derivative IUPAC Name:trimethylsilyl 3-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-6-propyl-2,4-bis[(trimethylsilyl)oxy]benzoate
Derivative SMILES:CCCC1=CC(O[Si](C)(C)C)=C(C/C=C(\C)CCC=C(C)C)C(O[Si](C)(C)C)=C1C(=O)O[Si](C)(C)C
Derivative InChIKey:InChIKey=YMSJOIKSRRJTBT-FCDQGJHFSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (3 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:C29H52O4Si3
Molecular Weight (Monoisotopic Mass):548.317 Da
Derivative Type:3 TMS
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCCC1=CC(O[Si](C)(C)C)=C(C/C=C(\C)CCC=C(C)C)C(O[Si](C)(C)C)=C1C(=O)O[Si](C)(C)C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file749 Bytes
mzML formatted file (MZML)Download file4.68 KB
References
Not Available