Dataset

Phosphatidylcholine 20:0-20:4

This MassBank record with Accession MSBNK-Chubu_Univ-UT001798 contains the MS2 mass spectrum of Phosphatidylcholine 20:0-20:4 with the InChIkey LKDQVYYANCMMNT-CTMZMWSNSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C48H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h17,19,23,25,29,31,35,37,46H,6-16,18,20-22,24,26-28,30,32-34,36,38-45H2,1-5H3/b19-17-,25-23-,31-29-,37-35-
SMILES C(=CCC=CCC=CCC=CCCC(=O)OC(COC(CCCCCCCCCCCCCCCCCCC)=O)COP(OCC[N+1](C)(C)C)([O-1])=O)CCCCCC
InChI Key LKDQVYYANCMMNT-CTMZMWSNSA-N
Molecular Formula C48H88NO8P
Exact Mass 837.625 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-UT001798
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:48:42.127943
MetadataModified 2024-01-11T12:48:42.295774
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134746929 PubChem
The data in this table is sourced from UniChem at EBI.