Spectrum Details
MiMe ID:MMDBc0031268
Compound Name:PE(12:0/19:iso)
Derivative IUPAC Name:{2-[bis(trimethylsilyl)amino]ethoxy}[(2R)-3-(dodecanoyloxy)-2-[(17-methyloctadecanoyl)oxy]propoxy]phosphinic acid
Derivative SMILES:CCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)OC(=O)CCCCCCCCCCCCCCCC(C)C
Derivative InChIKey:InChIKey=MUVASBWSCHWKCQ-RRHRGVEJSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_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:C36H72NO8P
Molecular Weight (Monoisotopic Mass):677.4996 Da
Derivative Type:TMS_2_2
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file778 Bytes
mzML formatted file (MZML)Download file4.63 KB
References