Dataset

11,12-EET

This MassBank record with Accession MSBNK-Chubu_Univ-UT000009 contains the MS2 mass spectrum of 11,12-EET with the InChIkey DXOYQVHGIODESM-KROJNAHFSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H32O3/c1-2-3-4-5-9-12-15-18-19(23-18)16-13-10-7-6-8-11-14-17-20(21)22/h6,8-10,12-13,18-19H,2-5,7,11,14-17H2,1H3,(H,21,22)/b8-6-,12-9-,13-10-
SMILES CCCCCC=CCC(O1)C(CC=CCC=CCCCC(O)=O)1
InChI Key DXOYQVHGIODESM-KROJNAHFSA-N
Molecular Formula C20H32O3
Exact Mass 320.235 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-UT000009
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:53:54.813831
MetadataModified 2025-02-09T08:59:41.562775
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL2508933 SureChEMBL
25172 Brenda
152392 Brenda
40166 Brenda
MTBLC34130 Metabolights
60020847 NMRShiftDB
34130 ChEBI
14899304 PubChem: Thomson Pharma
5283204 PubChem
1934453 eMolecules
LMFA03080004 LipidMaps
247086 Brenda
C14770 KEGG Ligand
CHEMBL128339 ChEMBL
The data in this table is sourced from UniChem at EBI.