Spectrum Details
MiMe ID:MMDBc0033217
Compound Name:Cer 18:0;3/22:0;0
Derivative IUPAC Name:N-[(2S,3S,4R)-1-hydroxy-3,4-bis[(trimethylsilyl)oxy]octadecan-2-yl]docosanamide
Derivative SMILES:CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O[Si](C)(C)C)[C@@H](CCCCCCCCCCCCCC)O[Si](C)(C)C
Derivative InChIKey:InChIKey=QLSRQGURLUFFMU-DTLWHLCPSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_4) - 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:C40H81NO4
Molecular Weight (Monoisotopic Mass):639.6166 Da
Derivative Type:TMS_2_4
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file779 Bytes
mzML formatted file (MZML)Download file4.63 KB
References