Dataset

Phosphatidylethanolamine 22:6-24:6

This MassBank record with Accession MSBNK-Chubu_Univ-UT002871 contains the MS2 mass spectrum of Phosphatidylethanolamine 22:6-24:6 with the InChIkey RYRYLVYZMTURGB-RIJNFFOPSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C51H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-51(54)60-49(48-59-61(55,56)58-46-45-52)47-57-50(53)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h6,8-9,11-12,14-15,17-18,20-21,23,25-28,31-34,37-40,49H,3-5,7,10,13,16,19,22,24,29-30,35-36,41-48,52H2,1-2H3,(H,55,56)/b8-6-,11-9-,14-12-,17-15-,20-18-,23-21-,27-25-,28-26-,33-31-,34-32-,39-37-,40-38-
SMILES C(C(COC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)OC(CCC=CCC=CCC=CCC=CCC=CCC=CCCCC)=O)OP(O)(=O)OCCN
InChI Key RYRYLVYZMTURGB-RIJNFFOPSA-N
Molecular Formula C51H78NO8P
Exact Mass 863.547 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-UT002871
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:46:54.283398
MetadataModified 2024-01-11T12:46:54.431813
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134765679 PubChem
The data in this table is sourced from UniChem at EBI.