Dataset

Phosphatidylethanolamine 18:0-22:5

This MassBank record with Accession MSBNK-Chubu_Univ-UT001868 contains the MS2 mass spectrum of Phosphatidylethanolamine 18:0-22:5 with the InChIkey DPRXQVIZBLENFV-WZARRQHISA-N.

Chemical Info

molecular Image
InChI InChI=1S/C45H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46)41-51-44(47)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,26,28,32,34,43H,3-10,12,14-16,18,20,23-25,27,29-31,33,35-42,46H2,1-2H3,(H,49,50)/b13-11-,19-17-,22-21-,28-26-,34-32-
SMILES C(COP(OCCN)(O)=O)(COC(CCCCCCCCCCCCCCCCC)=O)OC(=O)CCC=CCC=CCC=CCC=CCC=CCCCCC
InChI Key DPRXQVIZBLENFV-WZARRQHISA-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-UT001868
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:56:29.719367
MetadataModified 2025-02-09T09:01:31.760889
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134727563 PubChem
The data in this table is sourced from UniChem at EBI.