Spectrum Details
MiMe ID:MMDBc0057043
Compound Name:PGP(19:0cycw7/15:0cycw5)
Derivative IUPAC Name:[(2R)-3-({[(2R)-2-{[8-(2-butylcyclopropyl)octanoyl]oxy}-3-{[10-(2-hexylcyclopropyl)decanoyl]oxy}propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(trimethylsilyl)oxy]phosphinic acid
Derivative SMILES:CCCCCCC1CC1CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)O[Si](C)(C)C)OC(=O)CCCCCCCC1CC1CCCC
Derivative InChIKey:InChIKey=QWURQLIULWNDLU-FWJGZTEXSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_1_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:C40H76O13P2
Molecular Weight (Monoisotopic Mass):826.4761 Da
Derivative Type:TMS_1_2
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file774 Bytes
mzML formatted file (MZML)Download file4.63 KB
References