Dataset

Phosphatidylethanolamine 22:4-20:4

This MassBank record with Accession MSBNK-Chubu_Univ-UT002867 contains the MS2 mass spectrum of Phosphatidylethanolamine 22:4-20:4 with the InChIkey UBLNXNRMLGUFLE-SENCJFLLSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C47H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-46(49)53-43-45(44-55-57(51,52)54-42-41-48)56-47(50)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h14,16-17,19-20,22-24,27-30,33-36,45H,3-13,15,18,21,25-26,31-32,37-44,48H2,1-2H3,(H,51,52)/b16-14-,19-17-,23-20-,24-22-,29-27-,30-28-,35-33-,36-34-
SMILES C(C(OC(COC(CCC=CCC=CCC=CCC=CCCCCCCCC)=O)COP(O)(=O)OCCN)=O)CC=CCC=CCC=CCC=CCCCCCC
InChI Key UBLNXNRMLGUFLE-SENCJFLLSA-N
Molecular Formula C47H78NO8P
Exact Mass 815.547 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-UT002867
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:47:17.743707
MetadataModified 2024-01-11T12:47:17.914760
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134769538 PubChem
The data in this table is sourced from UniChem at EBI.