Dataset

5-HEPE

This MassBank record with Accession MSBNK-Chubu_Univ-UT000169 contains the MS2 mass spectrum of 5-HEPE with the InChIkey FTAGQROYQYQRHF-GHWNLOBHSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h3-4,6-7,9-10,12-14,16,19,21H,2,5,8,11,15,17-18H2,1H3,(H,22,23)/b4-3-,7-6-,10-9-,13-12-,16-14+/t19-/m1/s1
SMILES CCC=CCC=CCC=CCC=CC=CC(O)CCCC(O)=O
InChI Key FTAGQROYQYQRHF-GHWNLOBHSA-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-UT000169
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:47:14.477370
MetadataModified 2024-01-11T12:47:14.623448
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
5283193 PubChem
PD021007 ProbesDrugs
LMFA03070010 LipidMaps
HMDB0062408 Human Metabolome Database
140934 ChEBI
SCHEMBL16681245 SureChEMBL
ZINC000012496534 ZINC
The data in this table is sourced from UniChem at EBI.