Spectrum Details
MiMe ID:MMDBc0033063
Compound Name:N-(26-hydroxyhexacosanoyl)sphinganine
Derivative IUPAC Name:26-hydroxy-N-[(2S,3R)-1-hydroxy-3-[(trimethylsilyl)oxy]octadecan-2-yl]hexacosanamide
Derivative SMILES:CCCCCCCCCCCCCCC[C@@H](O[Si](C)(C)C)[C@H](CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCO
Derivative InChIKey:InChIKey=HCCNPKSMJJBSMR-CRCOQUFZSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_1_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:C44H89NO4
Molecular Weight (Monoisotopic Mass):695.6792 Da
Derivative Type:TMS_1_1
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file786 Bytes
mzML formatted file (MZML)Download file4.63 KB
References