Spectrum Details
MiMe ID:MMDBc0056403
Compound Name:PG(18:0/16:1(9Z))
Derivative IUPAC Name:[(2S)-2,3-bis[(trimethylsilyl)oxy]propoxy][(2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-(octadecanoyloxy)propoxy]phosphinic acid
Derivative SMILES:CCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OC[C@H](CO[Si](C)(C)C)O[Si](C)(C)C
Derivative InChIKey:InChIKey=XQDMQRDZQWMATE-RNWXPZHNSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_2_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:C40H77O10P
Molecular Weight (Monoisotopic Mass):748.5254 Da
Derivative Type:TMS_2_1
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OC[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)
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