Hmdb loader
Spectrum Details
HMDB ID:HMDB0261614
Compound Name:PE(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)-OH(20))
Derivative IUPAC Name:Not Available
Derivative SMILES:CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN[Si](C)(C)C(C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCO
Derivative InChIKey:Not Available
Spectrum Type:Predicted GC-MS Spectrum - PE(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)-OH(20)) GC-MS (TBDMS_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:C43H72NO9P
Molecular Weight (Monoisotopic Mass):777.4945 Da
Derivative Type:TBDMS_1_3
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN[Si](C)(C)C(C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCO)
Documentation
Document DescriptionDownloadFile Size
List of m/z values for the spectrum (TXT)Download file758 Bytes
mzML formatted file (MZML)Download file4.66 KB
References
Not Available