Spectrum Details
CDB ID:CDB000767
Compound Name:Cannabisin B
Derivative IUPAC Name:(1S,2R)-1-(3,4-dihydroxyphenyl)-7-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-3-{[2-(4-hydroxyphenyl)ethyl]carbamoyl}-6-[(trimethylsilyl)oxy]-1,2-dihydronaphthalene-2-carboximidic acid
Derivative SMILES:C[Si](C)(C)OC1=CC2=C(C=C1O)[C@H](C1=CC=C(O)C(O)=C1)[C@@H](C(O)=NCCC1=CC=C(O)C=C1)C(C(=O)NCCC1=CC=C(O)C=C1)=C2
Derivative InChIKey:InChIKey=BXDPJRFVXHJODC-PXLJZGITSA-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:C37H40N2O8Si
Molecular Weight (Monoisotopic Mass):668.255 Da
Derivative Type:1 TMS
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: C[Si](C)(C)OC1=CC2=C(C=C1O)[C@H](C1=CC=C(O)C(O)=C1)[C@@H](C(O)=NCCC1=CC=C(O)C=C1)C(C(=O)NCCC1=CC=C(O)C=C1)=C2)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file759 Bytes
mzML formatted file (MZML)Download file4.68 KB
References
Not Available