Dataset

13-HODE

This MassBank record with Accession MSBNK-Chubu_Univ-UT000043 contains the MS2 mass spectrum of 13-HODE with the InChIkey HNICUWMFWZBIFP-KDFHGORWSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H32O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15,17,19H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7+,15-12+
SMILES CCCCCC(O)C=CC=CCCCCCCCC(O)=O
InChI Key HNICUWMFWZBIFP-KDFHGORWSA-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-UT000043
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:49:37.314362
MetadataModified 2024-01-11T12:49:37.459420
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
5282948 PubChem
1984543 eMolecules
16474754 PubChem: Thomson Pharma
LMFA02000155 LipidMaps
165772 ChEBI
SCHEMBL561143 SureChEMBL
J360.977D Nikkaji
J643.646C Nikkaji
The data in this table is sourced from UniChem at EBI.