Spectrum Details
MiMe ID:MMDBc0031353
Compound Name:PS(12:0(3-OH)/15:0)
Derivative IUPAC Name:(2S)-2-[bis(trimethylsilyl)amino]-3-({hydroxy[(2R)-2-(pentadecanoyloxy)-3-({3-[(trimethylsilyl)oxy]dodecanoyl}oxy)propoxy]phosphoryl}oxy)propanoic acid
Derivative SMILES:CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC(CCCCCCCCC)O[Si](C)(C)C)COP(=O)(O)OC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C
Derivative InChIKey:InChIKey=UXPALSCKWDUHKQ-UTIJYACASA-N
Spectrum Type:Predicted GC-MS Spectrum - GC-MS (TMS_3_4) - 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:C33H64NO11P
Molecular Weight (Monoisotopic Mass):681.4217 Da
Derivative Type:TMS_3_4
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
Document DescriptionDownloadFile Size
Generated list of m/z values for the spectrum (TSV)Download file778 Bytes
mzML formatted file (MZML)Download file4.63 KB
References