Spectrum Details
MiMe ID:MMDBc0056404
Compound Name:PS(18:2(9Z,12Z)/18:2(9Z,12Z))
Derivative IUPAC Name:[(2S)-2-amino-3-oxo-3-[(trimethylsilyl)oxy]propoxy][(2R)-2,3-bis[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy]phosphinic acid
Derivative SMILES:CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](N)C(=O)O[Si](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC
Derivative InChIKey:InChIKey=PPTAWXYRNSSHEJ-XMXGELJNSA-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:C42H74NO10P
Molecular Weight (Monoisotopic Mass):783.505 Da
Derivative Type:TMS_1_1
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](N)C(=O)O[Si](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file749 Bytes
mzML formatted file (MZML)Download file4.67 KB
References
Not Available