Dataset

5-OxoETE

This MassBank record with Accession MSBNK-Chubu_Univ-UT000182 contains the MS2 mass spectrum of 5-OxoETE with the InChIkey MEASLHGILYBXFO-XTDASVJISA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h6-7,9-10,12-14,16H,2-5,8,11,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,13-12-,16-14+
SMILES CCCCCC=CCC=CCC=CC=CC(=O)CCCC(O)=O
InChI Key MEASLHGILYBXFO-XTDASVJISA-N
Molecular Formula C20H30O3
Exact Mass 318.219 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-UT000182
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:46:28.585890
MetadataModified 2024-01-11T12:46:28.774930
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000004655377 ZINC
LMFA03060011 LipidMaps
HMDB0010217 Human Metabolome Database
MTBLC52449 Metabolights
15469850 PubChem: Thomson Pharma
5283159 PubChem
PD020561 ProbesDrugs
52449 ChEBI
3416 Guide to Pharmacology
SCHEMBL139762 SureChEMBL
3391 Guide to Pharmacology
J661.539B Nikkaji
CHEMBL18028 ChEMBL
C14732 KEGG Ligand
1934497 eMolecules
The data in this table is sourced from UniChem at EBI.