Spectrum Details
MiMe ID:MMDBc0057029
Compound Name:PGP(15:0cycw5/16:1(9Z))
Derivative IUPAC Name:[(2S)-3-({[(2R)-3-{[8-(2-butylcyclopropyl)octanoyl]oxy}-2-[(9Z)-hexadec-9-enoyloxy]propoxy][(trimethylsilyl)oxy]phosphoryl}oxy)-2-hydroxypropoxy]phosphonic acid
Derivative SMILES:CCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCC1CC1CCCC)COP(=O)(OC[C@@H](O)COP(=O)(O)O)O[Si](C)(C)C
Derivative InChIKey:InChIKey=HOAWRMJAFBROMT-KHSXOUNLSA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_1_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:C37H70O13P2
Molecular Weight (Monoisotopic Mass):784.4292 Da
Derivative Type:TMS_1_3
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file775 Bytes
mzML formatted file (MZML)Download file4.63 KB
References