Spectrum Details
MiMe ID:MMDBc0017930
Compound Name:(1S,2S)-3-oxo-2-(2Z-pentenyl)cyclopentane-1-hexanoic acid
Derivative IUPAC Name:trimethylsilyl 6-[(1S,2S)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl]hexanoate
Derivative SMILES:CC/C=C\C[C@@H]1C(=O)CC[C@@H]1CCCCCC(=O)O[Si](C)(C)C
Derivative InChIKey:InChIKey=UMYPQEGVTKXRSM-KIZNEFEJSA-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:C16H26O3
Molecular Weight (Monoisotopic Mass):266.1882 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 file776 Bytes
mzML formatted file (MZML)Download file4.63 KB
References