Dataset

Phosphatidylglyceride 18:0-20:4

This MassBank record with Accession MSBNK-Chubu_Univ-UT001466 contains the MS2 mass spectrum of Phosphatidylglyceride 18:0-20:4 with the InChIkey ZLCQYNUSDYQZNJ-NQWSYULSSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C44H79O10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h13,15,19-20,24,26,30,32,41-42,45-46H,3-12,14,16-18,21-23,25,27-29,31,33-40H2,1-2H3,(H,49,50)/b15-13-,20-19-,26-24-,32-30-
SMILES C(CCCCCC)=CCC=CCC=CCC=CCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COP(O)(=O)OCC(O)CO
InChI Key ZLCQYNUSDYQZNJ-NQWSYULSSA-N
Molecular Formula C44H79O10P
Exact Mass 798.541 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-UT001466
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:01:28.193346
MetadataModified 2025-02-09T09:00:14.037381
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134784536 PubChem
The data in this table is sourced from UniChem at EBI.