Dataset

9-HODE

This MassBank record with Accession MSBNK-Chubu_Univ-UT000238 contains the MS2 mass spectrum of 9-HODE with the InChIkey NPDSHTNEKLQQIJ-ZJHFMPGASA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14,17,19H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+
SMILES CCCCCC=CC=CC(O)CCCCCCCC(O)=O
InChI Key NPDSHTNEKLQQIJ-ZJHFMPGASA-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-UT000238
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:49:57.701306
MetadataModified 2025-02-09T09:04:34.551628
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1077284 ChEMBL
68946 ChEBI
LMFA02000151 LipidMaps
50389675 BindingDB
5282944 PubChem
PD020956 ProbesDrugs
80024935 NMRShiftDB
72651 ChEBI
14751551 PubChem: Thomson Pharma
1935237 eMolecules
J365.920H Nikkaji
HMDB0062652 Human Metabolome Database
171734 Brenda
MTBLC68946 Metabolights
MTBLC72651 Metabolights
SCHEMBL122671 SureChEMBL
The data in this table is sourced from UniChem at EBI.