Spectrum Details
MiMe ID:MMDBc0018121
Compound Name:Botcinic acid
Derivative IUPAC Name:(2S,3R,4R,5S,6R)-6-[(1S,2R)-1-hydroxy-2-methyl-3-oxo-3-[(trimethylsilyl)oxy]propyl]-2,4,6-trimethyl-5-[(trimethylsilyl)oxy]oxan-3-yl (4S)-4-hydroxyoct-2-enoate
Derivative SMILES:CCCC[C@H](O)C=CC(=O)O[C@H]1[C@H](C)O[C@](C)([C@@H](O)[C@@H](C)C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1C
Derivative InChIKey:InChIKey=ZOZGQPBOSVRQRL-XTTAZULPSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_6) - 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:C20H34O8
Molecular Weight (Monoisotopic Mass):402.2254 Da
Derivative Type:TMS_2_6
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file774 Bytes
mzML formatted file (MZML)Download file4.63 KB
References