Dataset

8-HEPE

This MassBank record with Accession MSBNK-Chubu_Univ-UT000209 contains the MS2 mass spectrum of 8-HEPE with the InChIkey WLOUCHKFBGGNEB-CHGUASJCSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-13-16-19(21)17-14-11-12-15-18-20(22)23/h3-4,6-7,9-11,13-14,16,19,21H,2,5,8,12,15,17-18H2,1H3,(H,22,23)/b4-3-,7-6-,10-9-,14-11-,16-13+/t19-/m1/s1
SMILES CCC=CCC=CCC=CC=CC(O)CC=CCCCC(O)=O
InChI Key WLOUCHKFBGGNEB-CHGUASJCSA-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-UT000209
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:54:51.548360
MetadataModified 2025-02-09T09:00:18.863659
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
PD021005 ProbesDrugs
16609928 PubChem: Thomson Pharma
5283186 PubChem
J1.063.345A Nikkaji
LMFA03070003 LipidMaps
SCHEMBL5928207 SureChEMBL
ZINC000027643069 ZINC
The data in this table is sourced from UniChem at EBI.