Spectrum Details
T3DB ID:T3D3081
Compound Name:(-)-Gossypol
Derivative IUPAC Name:7-hydroxy-3,3'-dimethyl-5,5'-bis(propan-2-yl)-1,1',6,6',7'-pentakis[(trimethylsilyl)oxy]-[2,2'-binaphthalene]-8,8'-dicarbaldehyde
Derivative SMILES:CC1=CC2=C(C(C)C)C(O[Si](C)(C)C)=C(O)C(C=O)=C2C(O[Si](C)(C)C)=C1C1=C(C)C=C2C(C(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C=O)C2=C1O[Si](C)(C)C
Derivative InChIKey:InChIKey=IBLHGYOOUVCFNL-UHFFFAOYSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_5_1) - 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:C30H30O8
Molecular Weight (Monoisotopic Mass):518.1941 Da
Derivative Type:TMS_5_1
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC1=CC2=C(C(C)C)C(O[Si](C)(C)C)=C(O)C(C=O)=C2C(O[Si](C)(C)C)=C1C1=C(C)C=C2C(C(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C=O)C2=C1O[Si](C)(C)C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file757 Bytes
mzML formatted file (MZML)Download file4.68 KB
References
Not Available