Spectrum Details
MiMe ID:MMDBc0001694
Compound Name:Terretonin D
Derivative IUPAC Name:methyl (2R,4aS,4bR,5R,10aR,10bR)-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4,6-trioxo-5,8-bis[(trimethylsilyl)oxy]-1H,2H,4H,4aH,4bH,5H,6H,6aH,7H,10H,10aH,10bH,11H,12H,12aH-phenanthro[1,2-c]pyran-2-carboxylate
Derivative SMILES:C=C1C[C@@H]2[C@@]3(C)CC=C(O[Si](C)(C)C)C(C)(C)C3C(=O)[C@H](O[Si](C)(C)C)[C@@]2(C)[C@@H]2C(=O)O[C@@](C)(C(=O)OC)C(=O)C12C
Derivative InChIKey:InChIKey=HINJBDUYIPSLQX-GLWHLCJTSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_3) - 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:C26H34O8
Molecular Weight (Monoisotopic Mass):474.2254 Da
Derivative Type:TMS_2_3
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file773 Bytes
mzML formatted file (MZML)Download file4.63 KB
References