Spectrum Details
MiMe ID:MMDBc0000779
Compound Name:Sphinganine
Derivative IUPAC Name:(5R,6S)-2,2,3,3,9,9,10,10-octamethyl-5-pentadecyl-4,8-dioxa-3,9-disilaundecan-6-amine
Derivative SMILES:CCCCCCCCCCCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](N)CO[Si](C)(C)C(C)(C)C
Derivative InChIKey:InChIKey=AVPYHHMCDQKESE-WUFINQPMSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TBDMS_2_1) - 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_1
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCCCCCCCCCCCCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](N)CO[Si](C)(C)C(C)(C)C)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file751 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available