Spectrum Details
MiMe ID:MMDBc0002816
Compound Name:(8E,12Z)‐10,11‐dihydroxyoctadeca‐8,12‐dienoic acid
Derivative IUPAC Name:(8E,12Z)-11-hydroxy-10-[(trimethylsilyl)oxy]octadeca-8,12-dienoic acid
Derivative SMILES:CCCCC/C=C\C(O)C(/C=C/CCCCCCC(=O)O)O[Si](C)(C)C
Derivative InChIKey:InChIKey=PHPZZSJYTPOVEF-FEUFJANWNA-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:C18H32O4
Molecular Weight (Monoisotopic Mass):312.2301 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 file770 Bytes
mzML formatted file (MZML)Download file4.63 KB
References