Spectrum Details
MiMe ID:MMDBc0033062
Compound Name:N-hexacosanylsphinganine
Derivative IUPAC Name:N-(tert-butyldimethylsilyl)-N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]hexacosanamide
Derivative SMILES:CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N([C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC)[Si](C)(C)C(C)(C)C
Derivative InChIKey:InChIKey=ZVDTWMJDFSDVRM-JYHRMSDVSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TBDMS_1_3) - 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:C44H89NO3
Molecular Weight (Monoisotopic Mass):679.6842 Da
Derivative Type:TBDMS_1_3
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N([C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC)[Si](C)(C)C(C)(C)C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file758 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available