Spectrum Details
MiMe ID:MMDBc0022737
Compound Name:Asperterpene I
Derivative IUPAC Name:methyl (1R,2S,4aS,4bS,7R,8aS,10aS)-2-[(2S)-3-methoxy-2-methyl-3-oxo-2-[(trimethylsilyl)oxy]propanoyl]-2,4b,8,8,10a-pentamethyl-3-methylidene-7,9,10-tris[(trimethylsilyl)oxy]-1,2,3,4,4a,4b,5,6,7,8,8a,10a-dodecahydrophenanthrene-1-carboxylate
Derivative SMILES:C=C1C[C@H]2[C@]3(C)CC[C@@H](O[Si](C)(C)C)C(C)(C)[C@H]3C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@]2(C)[C@@H](C(=O)OC)[C@]1(C)C(=O)[C@](C)(O[Si](C)(C)C)C(=O)OC
Derivative InChIKey:InChIKey=GHNVICSVQWVNSF-FSGZMCHOSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_4_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:C27H40O9
Molecular Weight (Monoisotopic Mass):508.2672 Da
Derivative Type:TMS_4_1
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file780 Bytes
mzML formatted file (MZML)Download file4.63 KB
References