Dataset

15-HEPE

This MassBank record with Accession MSBNK-Chubu_Univ-UT000106 contains the MS2 mass spectrum of 15-HEPE with the InChIkey WLKCSMCLEKGITB-DBVSHIMFSA-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/h3-5,8-11,13-14,17,19,21H,2,6-7,12,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,13-3-,17-14+/t19-/m0/s1
SMILES CCC=CCC(O)C=CC=CCC=CCC=CCCCC(O)=O
InChI Key WLKCSMCLEKGITB-DBVSHIMFSA-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-UT000106
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:57:57.335379
MetadataModified 2025-02-09T09:00:42.639251
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
HMDB0062296 Human Metabolome Database
88347 ChEBI
LMFA03070009 LipidMaps
ZINC000008860441 ZINC
MTBLC88347 Metabolights
1935223 eMolecules
PD020995 ProbesDrugs
SCHEMBL15911188 SureChEMBL
5283192 PubChem
The data in this table is sourced from UniChem at EBI.