Spectrum Details
MiMe ID:MMDBc0017457
Compound Name:8-methylhomobotcinolide
Derivative IUPAC Name:(3R,4S,5S,6R,7R,8R)-5,6-dihydroxy-2,2,4,6,8-pentamethyl-9-oxo-7-[(trimethylsilyl)oxy]oxonan-3-yl 4-[(trimethylsilyl)oxy]dec-2-enoate
Derivative SMILES:CCCCCCC(C=CC(=O)O[C@@H]1[C@@H](C)[C@H](O)[C@@](C)(O)[C@H](O[Si](C)(C)C)[C@@H](C)C(=O)OC1(C)C)O[Si](C)(C)C
Derivative InChIKey:InChIKey=HWCWKMLJDAPTFV-CBEODUECSA-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:C23H40O8
Molecular Weight (Monoisotopic Mass):444.2723 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 file769 Bytes
mzML formatted file (MZML)Download file4.63 KB
References