Spectrum Details
MiMe ID:MMDBc0000805
Compound Name:DG(18:1(11Z)/18:2(9Z,12Z)/0:0)
Derivative IUPAC Name:(2R)-1-[(tert-butyldimethylsilyl)oxy]-3-[(11Z)-octadec-11-enoyloxy]propan-2-yl (9Z,12Z)-octadeca-9,12-dienoate
Derivative SMILES:CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)CO[Si](C)(C)C(C)(C)C
Derivative InChIKey:InChIKey=HHRQXROERPFMFZ-KARIRBSYSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TBDMS_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:C39H70O5
Molecular Weight (Monoisotopic Mass):618.5223 Da
Derivative Type:TBDMS_1_1
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)CO[Si](C)(C)C(C)(C)C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file755 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available