Spectrum Details
MiMe ID:MMDBc0000788
Compound Name:13-HOTE
Derivative IUPAC Name:trimethylsilyl 13-[(trimethylsilyl)oxy]octadeca-9,11,15-trienoate
Derivative SMILES:CCC=CCC(C=CC=CCCCCCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C
Derivative InChIKey:InChIKey=PWAXFKQKQXECIE-UHFFFAOYNA-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 CFMID-EI, 70eV, fully TMS-derivatized (structure: CCC=CCC(C=CC=CCCCCCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file750 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available