Dataset

Phosphatidylethanolamine 20:0-20:5

This MassBank record with Accession MSBNK-Chubu_Univ-UT002625 contains the MS2 mass spectrum of Phosphatidylethanolamine 20:0-20:5 with the InChIkey VNLXORDQXXPODA-WARBFJPKSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C45H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h8,10,14,16,20,22,26,28,32,34,43H,3-7,9,11-13,15,17-19,21,23-25,27,29-31,33,35-42,46H2,1-2H3,(H,49,50)/b10-8-,16-14-,22-20-,28-26-,34-32-
SMILES C(CC=CCCC(=O)OC(COP(OCCN)(O)=O)COC(CCCCCCCCCCCCCCCCCCC)=O)=CCC=CCC=CCC=CCCC
InChI Key VNLXORDQXXPODA-WARBFJPKSA-N
Molecular Formula C45H80NO8P
Exact Mass 793.562 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-UT002625
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:47:05.262807
MetadataModified 2024-01-11T12:47:05.426689
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134773666 PubChem
The data in this table is sourced from UniChem at EBI.