Dataset

Phosphatidylethanolamine 18:1-20:4

This MassBank record with Accession MSBNK-Chubu_Univ-UT001386 contains the MS2 mass spectrum of Phosphatidylethanolamine 18:1-20:4 with the InChIkey QBVUKWXEFSHJOQ-MOYSMJPMSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C43H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h13,15,19-20,24,26,29-32,41H,3-12,14,16-18,21-23,25,27-28,33-40,44H2,1-2H3,(H,47,48)/b15-13-,20-19-,26-24-,31-29-,32-30-
SMILES O(CCN)P(O)(=O)OCC(OC(=O)CCC=CCC=CCC=CCC=CCCCCCC)COC(CCC=CCCCCCCCCCCCCC)=O
InChI Key QBVUKWXEFSHJOQ-MOYSMJPMSA-N
Molecular Formula C43H76NO8P
Exact Mass 765.531 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-UT001386
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:00:29.542761
MetadataModified 2025-02-09T09:01:32.065899
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134760218 PubChem
The data in this table is sourced from UniChem at EBI.