Spectrum Details
MiMe ID:MMDBc0033060
Compound Name:N-tetracosanoylsphinganine
Derivative IUPAC Name:N-[(2S,3R)-1-hydroxy-3-[(trimethylsilyl)oxy]octadecan-2-yl]tetracosanamide
Derivative SMILES:CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](CCCCCCCCCCCCCCC)O[Si](C)(C)C
Derivative InChIKey:InChIKey=UTPXYWNLRMLXMW-JCGOJSMZSA-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:C42H85NO3
Molecular Weight (Monoisotopic Mass):651.6529 Da
Derivative Type:TMS_1_2
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](CCCCCCCCCCCCCCC)O[Si](C)(C)C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file761 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available