Spectrum Details
CDB ID:CDB000963
Compound Name:DG(22:0/16:0/0:0)
Derivative IUPAC Name:(2R)-2-(hexadecanoyloxy)-3-[(trimethylsilyl)oxy]propyl docosanoate
Derivative SMILES:CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[Si](C)(C)C)OC(=O)CCCCCCCCCCCCCCC
Derivative InChIKey:InChIKey=HIUYMLDOOQSTDV-HUESYALOSA-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:C41H80O5
Molecular Weight (Monoisotopic Mass):652.6006 Da
Derivative Type:TMS_1_1
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[Si](C)(C)C)OC(=O)CCCCCCCCCCCCCCC)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file760 Bytes
mzML formatted file (MZML)Download file4.68 KB
References
Not Available