Dataset

Phosphatidylethanolamine alkyl 16:0-22:6

This MassBank record with Accession MSBNK-Chubu_Univ-UT001445 contains the MS2 mass spectrum of Phosphatidylethanolamine alkyl 16:0-22:6 with the InChIkey JJMPYAHUHHQAJB-YKPVOZFUSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C43H76NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,24,26,30,32,42H,3-4,6,8-10,12,14-16,18,20,23,25,27-29,31,33-41,44H2,1-2H3,(H,46,47)/b7-5-,13-11-,19-17-,22-21-,26-24-,32-30-
SMILES C(CCC(=O)OC(COP(OCCN)(O)=O)COCCCCCCCCCCCCCCCC)=CCC=CCC=CCC=CCC=CCC=CCC
InChI Key JJMPYAHUHHQAJB-YKPVOZFUSA-N
Molecular Formula C43H76NO7P
Exact Mass 749.536 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-UT001445
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:02:53.170244
MetadataModified 2025-02-09T09:01:48.481147
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134741149 PubChem
The data in this table is sourced from UniChem at EBI.