Spectrum Details
MiMe ID:MMDBc0000825
Compound Name:DG(16:1n7/0:0/18:1n9)
Derivative IUPAC Name:(2S)-2-[(tert-butyldimethylsilyl)oxy]-3-[(7Z)-hexadec-7-enoyloxy]propyl (9Z)-octadec-9-enoate
Derivative SMILES:CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCC/C=C\CCCCCCCC)O[Si](C)(C)C(C)(C)C
Derivative InChIKey:InChIKey=UBVNPHMXOYKXSL-LQHMDRHBSA-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:C37H68O5
Molecular Weight (Monoisotopic Mass):592.5067 Da
Derivative Type:TBDMS_1_1
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCC/C=C\CCCCCCCC)O[Si](C)(C)C(C)(C)C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file756 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available