Spectrum Details
MiMe ID:MMDBc0056899
Compound Name:PA(16:0/12:0)
Derivative IUPAC Name:[(2R)-2-(dodecanoyloxy)-3-(hexadecanoyloxy)propoxy][(trimethylsilyl)oxy]phosphinic acid
Derivative SMILES:CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[Si](C)(C)C)OC(=O)CCCCCCCCCCC
Derivative InChIKey:InChIKey=IEAIZUMVQQWZFQ-JGCGQSQUSA-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:C31H61O8P
Molecular Weight (Monoisotopic Mass):592.4104 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 file770 Bytes
mzML formatted file (MZML)Download file4.63 KB
References