Dataset

Phosphatidylethanolamine 19:1-22:6

This MassBank record with Accession MSBNK-Chubu_Univ-UT001394 contains the MS2 mass spectrum of Phosphatidylethanolamine 19:1-22:6 with the InChIkey ALIRENPDFGUYQE-NSLGBSSLSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C46H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47)42-52-45(48)38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22-23,27,29,32-35,44H,3-4,6,8-10,12,14-16,18,20-21,24-26,28,30-31,36-43,47H2,1-2H3,(H,50,51)/b7-5-,13-11-,19-17-,23-22-,29-27-,34-32-,35-33-
SMILES C(CC=CCCCCCCCCCCCCCC)C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(O)(=O)OCCN)=O
InChI Key ALIRENPDFGUYQE-NSLGBSSLSA-N
Molecular Formula C46H78NO8P
Exact Mass 803.547 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-UT001394
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:46:34.326860
MetadataModified 2024-01-11T12:46:34.473446
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134718600 PubChem
The data in this table is sourced from UniChem at EBI.