Dataset

12,13-EODE

This MassBank record with Accession MSBNK-Chubu_Univ-UT000014 contains the MS2 mass spectrum of 12,13-EODE with the InChIkey CCPPLLJZDQAOHD-DHZHZOJOSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H32O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h8,11,16-17H,2-7,9-10,12-15H2,1H3,(H,19,20)/b11-8+
SMILES CCCCCC(O1)C(CC=CCCCCCCCC(O)=O)1
InChI Key CCPPLLJZDQAOHD-DHZHZOJOSA-N
Molecular Formula C18H32O3
Exact Mass 296.235 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-UT000014
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:47:37.302419
MetadataModified 2024-01-11T12:47:37.472918
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
732401 eMolecules
CHEMBL281291 ChEMBL
5283014 PubChem
87220956 PubChem: Thomson Pharma
70104369 NMRShiftDB
J751.616I Nikkaji
SCHEMBL1568580 SureChEMBL
50280208 BindingDB
LMFA02000276 LipidMaps
165794 ChEBI
The data in this table is sourced from UniChem at EBI.