Dataset

15-OxoETE

This MassBank record with Accession MSBNK-Chubu_Univ-UT000126 contains the MS2 mass spectrum of 15-OxoETE with the InChIkey YGJTUEISKATQSM-USWFWKISSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H30O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,17-14+
SMILES CCCCCC(=O)/C=C/C=C\C/C=C\C/C=C\CCCC(=O)O
InChI Key YGJTUEISKATQSM-USWFWKISSA-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-UT000126
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:48:11.915005
MetadataModified 2024-01-11T12:48:12.060467
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J716.153K Nikkaji
SCHEMBL144747 SureChEMBL
81416-72-0 ACToR
PD020968 ProbesDrugs
60059473 NMRShiftDB
14801325 PubChem: Thomson Pharma
5280701 PubChem
153645 Brenda
112247 Brenda
MTBLC15559 Metabolights
198187 Brenda
193507 Brenda
HMDB0010210 Human Metabolome Database
ZINC000004629855 ZINC
LMFA03060051 LipidMaps
C04577 KEGG Ligand
CHEMBL418941 ChEMBL
15559 ChEBI
1934477 eMolecules
The data in this table is sourced from UniChem at EBI.