Spectrum Details
MiMe ID:MMDBc0032055
Compound Name:PE(22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))
Derivative IUPAC Name:(2R)-3-{[(2-aminoethoxy)[(trimethylsilyl)oxy]phosphoryl]oxy}-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate
Derivative SMILES:CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@H](COP(=O)(OCCN)O[Si](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC
Derivative InChIKey:InChIKey=ASLFJRCRJVODOR-UQPCZJDCSA-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:C45H76NO8P
Molecular Weight (Monoisotopic Mass):789.5309 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 file775 Bytes
mzML formatted file (MZML)Download file4.63 KB
References