Dataset

8,15-DiHETE

This MassBank record with Accession MSBNK-Chubu_Univ-UT000202 contains the MS2 mass spectrum of 8,15-DiHETE with the InChIkey NNPWRKSGORGTIM-HCCKYKKOSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H32O4/c1-2-3-8-13-18(21)14-9-4-5-10-15-19(22)16-11-6-7-12-17-20(23)24/h4-6,9-11,14-15,18-19,21-22H,2-3,7-8,12-13,16-17H2,1H3,(H,23,24)/b5-4-,11-6-,14-9+,15-10+/t18-,19+/m0/s1
SMILES CCCCCC(O)C=CC=CC=CC(O)CC=CCCCC(O)=O
InChI Key NNPWRKSGORGTIM-HCCKYKKOSA-N
Molecular Formula C20H32O4
Exact Mass 336.230 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-UT000202
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:49:40.536659
MetadataModified 2024-01-11T12:49:40.692406
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
113918655 PubChem: Thomson Pharma
PD020967 ProbesDrugs
MTBLC136485 Metabolights
ZINC000008860448 ZINC
LMFA03060050 LipidMaps
CHEMBL3183681 ChEMBL
SCHEMBL8263231 SureChEMBL
136485 ChEBI
5283183 PubChem
The data in this table is sourced from UniChem at EBI.