Spectrum Details
MiMe ID:MMDBc0015828
Compound Name:Asperic acid
Derivative IUPAC Name:trimethylsilyl (5E)-6-[(2S,5S)-5-(1-hydroxyethyl)-5-methyloxolan-2-yl]-2,4-dimethylhept-5-enoate
Derivative SMILES:C/C(=C\C(C)CC(C)C(=O)O[Si](C)(C)C)[C@@H]1CC[C@@](C)(C(C)O)O1
Derivative InChIKey:InChIKey=UQIAIGHPCIIJBT-REWVULIWSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 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:C16H28O4
Molecular Weight (Monoisotopic Mass):284.1988 Da
Derivative Type:TMS_1_2
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file773 Bytes
mzML formatted file (MZML)Download file4.63 KB
References