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Spectrum Details
HMDB ID:HMDB0258342
Compound Name:N-(9Z-Octadecenoyl)-4E,14Z-sphingadienine-1-phosphocholine
Derivative IUPAC Name:Not Available
Derivative SMILES:CCCC=CCCCCCCCCC=CC(O)C(COP(=O)([O-])OCC[N+](C)(C)C)N(C(=O)CCCCCCCC=CCCCCCCCC)[Si](C)(C)C(C)(C)C
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - N-(9Z-Octadecenoyl)-4E,14Z-sphingadienine-1-phosphocholine GC-MS (TBDMS_1_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:C41H79N2O6P
Molecular Weight (Monoisotopic Mass):726.5676 Da
Derivative Type:TBDMS_1_2
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCCC=CCCCCCCCCC=CC(O)C(COP(=O)([O-])OCC[N+](C)(C)C)N(C(=O)CCCCCCCC=CCCCCCCCC)[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 file4.66 KB
References
Not Available