Spectrum Details
CDB ID:CDB004832
Compound Name:Sphinganine
Derivative IUPAC Name:(2S,3R)-2-[(tert-butyldimethylsilyl)amino]-3-[(tert-butyldimethylsilyl)oxy]octadecan-1-ol
Derivative SMILES:CCCCCCCCCCCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)N[Si](C)(C)C(C)(C)C
Derivative InChIKey:InChIKey=CMUMZINPLYZADO-WUFINQPMSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TBDMS_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:C18H39NO2
Molecular Weight (Monoisotopic Mass):301.2981 Da
Derivative Type:TBDMS_2_2
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCCCCCCCCCCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)N[Si](C)(C)C(C)(C)C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file747 Bytes
mzML formatted file (MZML)Download file4.68 KB
References
Not Available