Dataset

Phosphatidylethanolamine 17:0-22:6

This MassBank record with Accession MSBNK-Chubu_Univ-UT002588 contains the MS2 mass spectrum of Phosphatidylethanolamine 17:0-22:6 with the InChIkey WVGREBRFGJNLSB-KAFSZNKPSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C44H76NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45)40-50-43(46)36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,25,27,31,33,42H,3-4,6,8-10,12,14-16,18,20,23-24,26,28-30,32,34-41,45H2,1-2H3,(H,48,49)/b7-5-,13-11-,19-17-,22-21-,27-25-,33-31-
SMILES C(CC)=CCC=CCC=CCC=CCC=CCC=CCCC(=O)OC(COP(OCCN)(O)=O)COC(CCCCCCCCCCCCCCCC)=O
InChI Key WVGREBRFGJNLSB-KAFSZNKPSA-N
Molecular Formula C44H76NO8P
Exact Mass 777.531 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-UT002588
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:53:31.931452
MetadataModified 2025-02-09T09:01:51.394926
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134777294 PubChem
The data in this table is sourced from UniChem at EBI.