Spectrum Details
MiMe ID:MMDBc0030290
Compound Name:PS(18:1(11Z)/17:0)
Derivative IUPAC Name:[(2S)-2-amino-3-oxo-3-[(trimethylsilyl)oxy]propoxy][(2R)-2-(heptadecanoyloxy)-3-[(11Z)-octadec-11-enoyloxy]propoxy]phosphinic acid
Derivative SMILES:CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](N)C(=O)O[Si](C)(C)C)OC(=O)CCCCCCCCCCCCCCCC
Derivative InChIKey:InChIKey=PBOUHQRMHCZCPQ-JLECJNSQSA-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:C41H78NO10P
Molecular Weight (Monoisotopic Mass):775.5363 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 file779 Bytes
mzML formatted file (MZML)Download file4.63 KB
References