Spectrum Details
MiMe ID:MMDBc0011527
Compound Name:Phomaligadione A
Derivative IUPAC Name:(1S)-4-methoxy-1,3-dimethyl-6-oxo-2-[(trimethylsilyl)oxy]cyclohexa-2,4-dien-1-yl 2-methylbutanoate
Derivative SMILES:CCC(C)C(=O)O[C@]1(C)C(=O)C=C(OC)C(C)=C1O[Si](C)(C)C
Derivative InChIKey:InChIKey=LLNOYKYROJUQCG-DFDFJRDNSA-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:C14H20O5
Molecular Weight (Monoisotopic Mass):268.1311 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 file778 Bytes
mzML formatted file (MZML)Download file4.63 KB
References