Spectrum Details
MiMe ID:MMDBc0031383
Compound Name:PS(15:0/10:0(3-OH))
Derivative IUPAC Name:(2S)-2-amino-3-({[(2R)-2-[(3-hydroxydecanoyl)oxy]-3-(pentadecanoyloxy)propoxy][(trimethylsilyl)oxy]phosphoryl}oxy)propanoic acid
Derivative SMILES:CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(OC[C@H](N)C(=O)O)O[Si](C)(C)C)OC(=O)CC(O)CCCCCCC
Derivative InChIKey:InChIKey=ZNOGKNRXPVXZLZ-FYBNZHHVSA-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:C31H60NO11P
Molecular Weight (Monoisotopic Mass):653.3904 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