Dataset

Phosphatidylethanolamine alkenyl 18:0-18:2

This MassBank record with Accession MSBNK-Chubu_Univ-UT002641 contains the MS2 mass spectrum of Phosphatidylethanolamine alkenyl 18:0-18:2 with the InChIkey QBAQUPWJTLVJBD-CZAAGYDRSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C41H78NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-46-38-40(39-48-50(44,45)47-37-35-42)49-41(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h22,24,28,30,33,36,40H,3-21,23,25-27,29,31-32,34-35,37-39,42H2,1-2H3,(H,44,45)/b24-22-,30-28-,36-33+
SMILES C(CCC=COCC(OC(CCC=CCC=CCCCCCCCCCC)=O)COP(O)(=O)OCCN)CCCCCCCCCCCCC
InChI Key QBAQUPWJTLVJBD-CZAAGYDRSA-N
Molecular Formula C41H78NO7P
Exact Mass 727.552 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-UT002641
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:46:48.967401
MetadataModified 2024-01-11T12:46:49.109124
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134760121 PubChem
The data in this table is sourced from UniChem at EBI.