Dataset

Phosphatidylcholine 19:0-22:6; LC-ESI-ITFT; MS2; [M+CH3COO]-; RT: 27.99; Exp: 3

This MassBank record with Accession MSBNK-Chubu_Univ-UT002528 contains the MS2 mass spectrum of Phosphatidylcholine 19:0-22:6 with the InChIkey MCBZZOAHAMROOU-DSFOIJQZSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C49H86NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-28-30-32-34-36-38-40-42-49(52)58-47(46-57-59(53,54)56-44-43-50(3,4)5)45-55-48(51)41-39-37-35-33-31-29-27-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,25-26,30,32,36,38,47H,6-7,9,11-13,15,17-19,21,23-24,27-29,31,33-35,37,39-46H2,1-5H3/b10-8-,16-14-,22-20-,26-25-,32-30-,38-36-
SMILES C(=CCCC(=O)OC(COC(CCCCCCCCCCCCCCCCCC)=O)COP(OCC[N+1](C)(C)C)([O-1])=O)CC=CCC=CCC=CCC=CCC=CCC
InChI Key MCBZZOAHAMROOU-DSFOIJQZSA-N
Molecular Formula C49H86NO8P
Exact Mass 847.609 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Chubu_Univ-UT002528
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • [2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-nonadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    134748913 PubChem
    The data in this table is sourced from UniChem at EBI.