Spectrum Details
MiMe ID:MMDBc0002694
Compound Name:Aflavinine
Derivative IUPAC Name:3-[(4aS,5R,7aS,8R,11S,11aS)-5,7a,8-trimethyl-3-(propan-2-yl)-11-[(trimethylsilyl)oxy]-1H,2H,4aH,5H,6H,7H,7aH,8H,9H,10H,11H-cyclohexa[e]naphthalen-4-yl]-1-(trimethylsilyl)-1H-indole
Derivative SMILES:CC(C)C1=C(C2=CN([Si](C)(C)C)C3=CC=CC=C23)[C@@H]2[C@H](C)CC[C@@]3(C)[C@H](C)CC[C@H](O[Si](C)(C)C)[C@@]23CC1
Derivative InChIKey:InChIKey=FZSUPBDKWDATTM-LNOVWHBNSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_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:C28H39NO
Molecular Weight (Monoisotopic Mass):405.3032 Da
Derivative Type:TMS_2_1
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file767 Bytes
mzML formatted file (MZML)Download file4.63 KB
References