Dataset

Phosphatidylethanolamine 22:1-18:2

This MassBank record with Accession MSBNK-Chubu_Univ-UT002632 contains the MS2 mass spectrum of Phosphatidylethanolamine 22:1-18:2 with the InChIkey MKIWGOUJSUAXPP-DFWRNDSJSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C45H84NO8P/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/h26,28,31-34,43H,3-25,27,29-30,35-42,46H2,1-2H3,(H,49,50)/b28-26-,33-31-,34-32-
SMILES C(C=CCCC(OC(COC(CCC=CCCCCCCCCCCCCCCCCC)=O)COP(O)(=O)OCCN)=O)C=CCCCCCCCCCC
InChI Key MKIWGOUJSUAXPP-DFWRNDSJSA-N
Molecular Formula C45H84NO8P
Exact Mass 797.593 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-UT002632
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:57:43.523376
MetadataModified 2025-02-09T08:58:39.521193
MetadataPublished 2016-01-19
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134749778 PubChem
The data in this table is sourced from UniChem at EBI.