Spectrum Details
MiMe ID:MMDBc0032705
Compound Name:DG(15:0cyclo/16:1(9Z)/0:0)
Derivative IUPAC Name:(2R)-3-{[8-(2-butylcyclopropyl)octanoyl]oxy}-2-[(trimethylsilyl)oxy]propyl (9Z)-hexadec-9-enoate
Derivative SMILES:CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCC1CC1CCCC)O[Si](C)(C)C
Derivative InChIKey:InChIKey=NQCLQIVKRBPCCG-ICLKWDIGSA-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:C34H62O5
Molecular Weight (Monoisotopic Mass):550.4597 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 file773 Bytes
mzML formatted file (MZML)Download file4.63 KB
References