Spectrum Details
MiMe ID:MMDBc0044913
Compound Name:DG(20:0/25:1(9Z)/0:0)
Derivative IUPAC Name:(2S)-1-(icosanoyloxy)-3-[(trimethylsilyl)oxy]propan-2-yl (9Z)-pentacos-9-enoate
Derivative SMILES:CCCCCCCCCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCC)CO[Si](C)(C)C
Derivative InChIKey:InChIKey=GPBZGSCLBYYTGC-ATYQPHIASA-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:C48H92O5
Molecular Weight (Monoisotopic Mass):748.6945 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 file784 Bytes
mzML formatted file (MZML)Download file4.63 KB
References