Dataset

Phosphatidylethanolamine alkenyl 16:0-24:4

This MassBank record with Accession MSBNK-Chubu_Univ-UT001412 contains the MS2 mass spectrum of Phosphatidylethanolamine alkenyl 16:0-24:4 with the InChIkey CXLQRZCNUQQELB-FGJYPOMBSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C45H82NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46)42-50-40-37-35-33-31-29-27-18-16-14-12-10-8-6-4-2/h20-21,23-24,26,28,32,34,37,40,44H,3-19,22,25,27,29-31,33,35-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b21-20-,24-23-,28-26-,34-32-,40-37+
SMILES NCCOP(O)(=O)OCC(COC=CCCCCCCCCCCCCCC)OC(CCC=CCC=CCC=CCC=CCCCCCCCCCC)=O
InChI Key CXLQRZCNUQQELB-FGJYPOMBSA-N
Molecular Formula C45H82NO7P
Exact Mass 779.583 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-UT001412
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:52:07.173690
MetadataModified 2025-02-09T09:01:47.544216
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134725594 PubChem
The data in this table is sourced from UniChem at EBI.