Spectrum Details
CDB ID:CDB000883
Compound Name:DG(18:0/20:0/0:0)
Derivative IUPAC Name:(2R)-1-[(tert-butyldimethylsilyl)oxy]-3-(octadecanoyloxy)propan-2-yl icosanoate
Derivative SMILES:CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)CO[Si](C)(C)C(C)(C)C
Derivative InChIKey:InChIKey=MKZAWEFERBLPEI-USYZEHPZSA-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:C41H80O5
Molecular Weight (Monoisotopic Mass):652.6006 Da
Derivative Type:TBDMS_1_1
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)CO[Si](C)(C)C(C)(C)C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file758 Bytes
mzML formatted file (MZML)Download file4.68 KB
References
Not Available