Dataset

Phosphatidylethanolamine alkenyl 17:0-20:4

This MassBank record with Accession MSBNK-Chubu_Univ-UT002153 contains the MS2 mass spectrum of Phosphatidylethanolamine alkenyl 17:0-20:4 with the InChIkey QTIWXGKYYKPQFH-FKQGHMTJSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C42H76NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-42(44)50-41(40-49-51(45,46)48-38-36-43)39-47-37-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h13,15,19-20,23,25,29,31,34,37,41H,3-12,14,16-18,21-22,24,26-28,30,32-33,35-36,38-40,43H2,1-2H3,(H,45,46)/b15-13-,20-19-,25-23-,31-29-,37-34+
SMILES NCCOP(O)(=O)OCC(COC=CCCCCCCCCCCCCCCC)OC(=O)CCC=CCC=CCC=CCC=CCCCCCC
InChI Key QTIWXGKYYKPQFH-FKQGHMTJSA-N
Molecular Formula C42H76NO7P
Exact Mass 737.536 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-UT002153
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:47:53.690368
MetadataModified 2024-01-11T12:47:53.849644
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134762187 PubChem
The data in this table is sourced from UniChem at EBI.