Spectrum Details
MiMe ID:MMDBc0017977
Compound Name:Botcinin D
Derivative IUPAC Name:(2S,3R,4R,4aS,8aR)-2,4,7,8a-tetramethyl-6-oxo-2H,3H,4H,4aH,6H,8aH-pyrano[3,2-b]pyran-3-yl (2E,4S)-4-[(trimethylsilyl)oxy]oct-2-enoate
Derivative SMILES:CCCC[C@@H](/C=C/C(=O)O[C@H]1[C@H](C)O[C@]2(C)C=C(C)C(=O)O[C@H]2[C@@H]1C)O[Si](C)(C)C
Derivative InChIKey:InChIKey=YKRMNHZQJWUOAQ-BLOWSLINSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_1_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:C20H30O6
Molecular Weight (Monoisotopic Mass):366.2042 Da
Derivative Type:TMS_1_1
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file777 Bytes
mzML formatted file (MZML)Download file4.63 KB
References