Spectrum Details
MiMe ID:MMDBc0003660
Compound Name:(1S,2R)-3-oxo-2-(2Z-pentenyl)cyclopentane-1-octanoic acid
Derivative IUPAC Name:trimethylsilyl 8-[(1S)-2-[(2Z)-pent-2-en-1-yl]-3-[(trimethylsilyl)oxy]cyclopent-2-en-1-yl]octanoate
Derivative SMILES:CC/C=C\CC1=C(O[Si](C)(C)C)CC[C@@H]1CCCCCCCC(=O)O[Si](C)(C)C
Derivative InChIKey:InChIKey=IXJWKKXGJORULY-DXAOBPHNSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_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:C18H30O3
Molecular Weight (Monoisotopic Mass):294.2195 Da
Derivative Type:TMS_2_1
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