Dataset

Phosphatidylethanolamine 18:0-18:2

This MassBank record with Accession MSBNK-Chubu_Univ-UT002844 contains the MS2 mass spectrum of Phosphatidylethanolamine 18:0-18:2 with the InChIkey CJVLBVKIFVTUPS-JSCMVKKRSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h22,24,28,30,39H,3-21,23,25-27,29,31-38,42H2,1-2H3,(H,45,46)/b24-22-,30-28-
SMILES C(CCCCCCCCCCCCCC)CCC(OCC(OC(CCC=CCC=CCCCCCCCCCC)=O)COP(O)(=O)OCCN)=O
InChI Key CJVLBVKIFVTUPS-JSCMVKKRSA-N
Molecular Formula C41H78NO8P
Exact Mass 743.547 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-UT002844
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:49:33.234426
MetadataModified 2024-01-11T12:49:33.400736
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
189571 ChEBI
134724141 PubChem
The data in this table is sourced from UniChem at EBI.