Dataset

Phosphatidylcholine 18:0-20:4

This MassBank record with Accession MSBNK-Chubu_Univ-UT001562 contains the MS3 mass spectrum of Phosphatidylcholine 18:0-20:4 with the InChIkey FALSXTSFRXGEBP-KKHNUOCRSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C46H84NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h16,18,22-23,27,29,33,35,44H,6-15,17,19-21,24-26,28,30-32,34,36-43H2,1-5H3/b18-16-,23-22-,29-27-,35-33-
SMILES C(CCCCCCCC(=O)OCC(COP(OCC[N+1](C)(C)C)([O-1])=O)OC(=O)CCC=CCC=CCC=CCC=CCCCCCC)CCCCCCCCC
InChI Key FALSXTSFRXGEBP-KKHNUOCRSA-N
Molecular Formula C46H84NO8P
Exact Mass 809.593 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-UT001562
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:47:04.334928
MetadataModified 2024-01-11T12:47:04.494873
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134728700 PubChem
The data in this table is sourced from UniChem at EBI.