Spectrum Details
MiMe ID:MMDBc0045198
Compound Name:MG(22:1(11Z/0:0)/0:0/0:0)
Derivative IUPAC Name:(2S)-2-hydroxy-3-[(trimethylsilyl)oxy]propyl (11Z)-docos-11-enoate
Derivative SMILES:CCCCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](O)CO[Si](C)(C)C
Derivative InChIKey:InChIKey=SWWSTTWWUVOURO-CRAWXWEASA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 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:C25H48O4
Molecular Weight (Monoisotopic Mass):412.3553 Da
Derivative Type:TMS_1_2
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file784 Bytes
mzML formatted file (MZML)Download file4.63 KB
References