Dataset

Phosphatidylethanolamine alkenyl 18:0-22:4

This MassBank record with Accession MSBNK-Chubu_Univ-UT002646 contains the MS2 mass spectrum of Phosphatidylethanolamine alkenyl 18:0-22:4 with the InChIkey GZMXKUALKXYCMM-XSEHFSNESA-N.

Chemical Info

molecular Image
InChI InChI=1S/C45H82NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46)42-50-40-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h17,19,22-23,26,28,32,34,37,40,44H,3-16,18,20-21,24-25,27,29-31,33,35-36,38-39,41-43,46H2,1-2H3,(H,48,49)/b19-17-,23-22-,28-26-,34-32-,40-37+
SMILES C(CCCCCCCCCCC)CCCCC=COCC(COP(OCCN)(O)=O)OC(CCC=CCC=CCC=CCC=CCCCCCCCC)=O
InChI Key GZMXKUALKXYCMM-XSEHFSNESA-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-UT002646
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:46:50.810509
MetadataModified 2024-01-11T12:46:50.961473
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134734287 PubChem
The data in this table is sourced from UniChem at EBI.