Dataset

Phosphatidylethanolamine 15:0-22:6

This MassBank record with Accession MSBNK-Chubu_Univ-UT002568 contains the MS2 mass spectrum of Phosphatidylethanolamine 15:0-22:6 with the InChIkey WIJRNOBSWIZHST-JTURFRPLSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C42H72NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43)38-48-41(44)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,23,25,29,31,40H,3-4,6,8-10,12,14-16,19,22,24,26-28,30,32-39,43H2,1-2H3,(H,46,47)/b7-5-,13-11-,18-17-,21-20-,25-23-,31-29-
SMILES OP(=O)(OCCN)OCC(COC(CCCCCCCCCCCCCC)=O)OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC
InChI Key WIJRNOBSWIZHST-JTURFRPLSA-N
Molecular Formula C42H72NO8P
Exact Mass 749.500 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-UT002568
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:49:54.417455
MetadataModified 2024-01-11T12:49:54.566476
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134775923 PubChem
The data in this table is sourced from UniChem at EBI.