Dataset

Phosphatidylcholine lyso 20:4

This MassBank record with Accession MSBNK-Chubu_Univ-UT001608 contains the MS3 mass spectrum of Phosphatidylcholine lyso 20:4 with the InChIkey XHKVQFBZSMLFNL-AILJCPQKSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C28H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(31)36-27(25-30)26-35-37(32,33)34-24-23-29(2,3)4/h10-11,13-14,16-17,19-20,27,30H,5-9,12,15,18,21-26H2,1-4H3/b11-10-,14-13-,17-16-,20-19-
SMILES C(C(OC(CO)COP([O-1])(=O)OCC[N+1](C)(C)C)=O)CC=CCC=CCC=CCC=CCCCCCC
InChI Key XHKVQFBZSMLFNL-AILJCPQKSA-N
Molecular Formula C28H50NO7P
Exact Mass 543.332 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-UT001608
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:46:31.013108
MetadataModified 2024-01-11T12:46:31.182275
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134778482 PubChem
The data in this table is sourced from UniChem at EBI.