Dataset

Phosphatidylethanolamine 22:6-22:6

This MassBank record with Accession MSBNK-Chubu_Univ-UT002141 contains the MS2 mass spectrum of Phosphatidylethanolamine 22:6-22:6 with the InChIkey RBDNSJMXMWTPCS-GZSOIYOPSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C49H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-48(51)55-45-47(46-57-59(53,54)56-44-43-50)58-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-32,35-38,47H,3-4,9-10,15-16,21-22,27-28,33-34,39-46,50H2,1-2H3,(H,53,54)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-,38-36-
SMILES O(C(CCC=CCC=CCC=CCC=CCC=CCC=CCC)=O)C(COP(OCCN)(O)=O)COC(CCC=CCC=CCC=CCC=CCC=CCC=CCC)=O
InChI Key RBDNSJMXMWTPCS-GZSOIYOPSA-N
Molecular Formula C49H74NO8P
Exact Mass 835.515 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-UT002141
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:46:26.076339
MetadataModified 2024-01-11T12:46:26.232016
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134763077 PubChem
The data in this table is sourced from UniChem at EBI.