Spectrum Details
MiMe ID:MMDBc0004863
Compound Name:Smenospongimine
Derivative IUPAC Name:3-{[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylidene-decahydronaphthalen-1-yl]methyl}-5-[methyl(trimethylsilyl)amino]-4-[(trimethylsilyl)oxy]cyclohexa-3,5-diene-1,2-dione
Derivative SMILES:C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC1=C(O[Si](C)(C)C)C(N(C)[Si](C)(C)C)=CC(=O)C1=O
Derivative InChIKey:InChIKey=LGAXSENANIDGMA-BZPPDAAYSA-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:C22H31NO3
Molecular Weight (Monoisotopic Mass):357.2304 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 file772 Bytes
mzML formatted file (MZML)Download file4.63 KB
References