Spectrum Details
MiMe ID:MMDBc0029941
Compound Name:PS(16:1(9Z)/16:1(9Z))
Derivative IUPAC Name:(2R)-3-({[(2R)-2,3-bis[(9Z)-hexadec-9-enoyloxy]propoxy][(trimethylsilyl)oxy]phosphoryl}oxy)-2-[(trimethylsilyl)amino]propanoic acid
Derivative SMILES:CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(OC[C@@H](N[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCC
Derivative InChIKey:InChIKey=CFNLAPXPKQEFNU-PUGNWAKISA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_3) - 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:C38H70NO10P
Molecular Weight (Monoisotopic Mass):731.4737 Da
Derivative Type:TMS_2_3
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file773 Bytes
mzML formatted file (MZML)Download file4.63 KB
References