Spectrum Details
MiMe ID:MMDBc0044810
Compound Name:DG(16:1(9Z)/25:0/0:0)
Derivative IUPAC Name:(2S)-1-[(9Z)-hexadec-9-enoyloxy]-3-[(trimethylsilyl)oxy]propan-2-yl pentacosanoate
Derivative SMILES:CCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](CO[Si](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCC
Derivative InChIKey:InChIKey=BQTHFEUICIGFDV-KMZFKOFHSA-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:C44H84O5
Molecular Weight (Monoisotopic Mass):692.6319 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