Spectrum Details
MiMe ID:MMDBc0033060
Compound Name:N-tetracosanoylsphinganine
Derivative IUPAC Name:N-[(2S,3R)-3-hydroxy-1-[(trimethylsilyl)oxy]octadecan-2-yl]-N-(trimethylsilyl)tetracosanamide
Derivative SMILES:CCCCCCCCCCCCCCCCCCCCCCCC(=O)N([C@@H](CO[Si](C)(C)C)[C@H](O)CCCCCCCCCCCCCCC)[Si](C)(C)C
Derivative InChIKey:InChIKey=ZMMCVVZVDGQSER-KBRGEABDSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_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_2_2
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCCCCCCCCCCCCCCCCCCCCCCC(=O)N([C@@H](CO[Si](C)(C)C)[C@H](O)CCCCCCCCCCCCCCC)[Si](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