Dataset

Phosphatidylethanolamine 20:4-22:6

This MassBank record with Accession MSBNK-Chubu_Univ-UT001156 contains the MS2 mass spectrum of Phosphatidylethanolamine 20:4-22:6 with the InChIkey QYRBWBWQALDZGP-YARNEYDXSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C47H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48)43-53-46(49)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-17,19-20,22-24,27-30,33-36,45H,3-4,6,8-10,12,15,18,21,25-26,31-32,37-44,48H2,1-2H3,(H,51,52)/b7-5-,13-11-,16-14-,19-17-,23-20-,24-22-,29-27-,30-28-,35-33-,36-34-
SMILES C(CC=CCC=CCCCCCC)=CCC=CCCC(OCC(OC(CCC=CCC=CCC=CCC=CCC=CCC=CCC)=O)COP(O)(=O)OCCN)=O
InChI Key QYRBWBWQALDZGP-YARNEYDXSA-N
Molecular Formula C47H74NO8P
Exact Mass 811.515 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-UT001156
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:46:15.071612
MetadataModified 2024-01-11T12:46:15.224443
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134762795 PubChem
The data in this table is sourced from UniChem at EBI.