Dataset

Phosphatidylethanolamine 22:0-18:1

This MassBank record with Accession MSBNK-Chubu_Univ-UT002866 contains the MS2 mass spectrum of Phosphatidylethanolamine 22:0-18:1 with the InChIkey FCSKFRCOAHKOKI-YJKCNMNRSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C45H88NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46)54-45(48)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h32,34,43H,3-31,33,35-42,46H2,1-2H3,(H,49,50)/b34-32-
SMILES C(CCCCCCCCC)CCCC=CCCC(=O)OC(COC(CCCCCCCCCCCCCCCCCCCCC)=O)COP(OCCN)(O)=O
InChI Key FCSKFRCOAHKOKI-YJKCNMNRSA-N
Molecular Formula C45H88NO8P
Exact Mass 801.625 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-UT002866
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:57:37.397925
MetadataModified 2025-02-09T09:01:15.079364
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134728980 PubChem
The data in this table is sourced from UniChem at EBI.