Dataset

Phosphatidylethanolamine alkyl 20:0-22:6

This MassBank record with Accession MSBNK-Chubu_Univ-UT001189 contains the MS2 mass spectrum of Phosphatidylethanolamine alkyl 20:0-22:6 with the InChIkey CQIPPLYYEQYRAX-JQIYMLLDSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C47H84NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-47(49)55-46(45-54-56(50,51)53-43-41-48)44-52-42-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,23-24,28,30,34,36,46H,3-4,6,8-10,12,14-16,18,20-22,25-27,29,31-33,35,37-45,48H2,1-2H3,(H,50,51)/b7-5-,13-11-,19-17-,24-23-,30-28-,36-34-
SMILES P(OCC(COCCCCCCCCCCCCCCCCCCCC)OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)(OCCN)(O)=O
InChI Key CQIPPLYYEQYRAX-JQIYMLLDSA-N
Molecular Formula C47H84NO7P
Exact Mass 805.599 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-UT001189
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:48:12.274923
MetadataModified 2024-01-11T12:48:12.426646
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134724812 PubChem
The data in this table is sourced from UniChem at EBI.