Dataset

Phosphatidylethanolamine 18:0-18:0

This MassBank record with Accession MSBNK-Chubu_Univ-UT001122 contains the MS2 mass spectrum of Phosphatidylethanolamine 18:0-18:0 with the InChIkey LVNGJLRDBYCPGB-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C41H82NO8P/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/h39H,3-38,42H2,1-2H3,(H,45,46)
SMILES C(CCCCCCCCCCCCCC)CCC(OCC(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC)=O
InChI Key LVNGJLRDBYCPGB-UHFFFAOYSA-N
Molecular Formula C41H82NO8P
Exact Mass 747.578 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-UT001122
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:48:09.950992
MetadataModified 2024-01-11T12:48:10.114723
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MTBLC47764 Metabolights
MTBLC47768 Metabolights
15337234 PubChem: Thomson Pharma
56927689 PubChem
PD040616 ProbesDrugs
47768 ChEBI
1069-79-0 ACToR
4537-76-2 ACToR
102547 PubChem
SCHEMBL239308 SureChEMBL
HMDB0251629 Human Metabolome Database
J600.282J Nikkaji
1938616 eMolecules
47764 ChEBI
The data in this table is sourced from UniChem at EBI.