Dataset

4-HDoHE

This MassBank record with Accession MSBNK-Chubu_Univ-UT000158 contains the MS2 mass spectrum of 4-HDoHE with the InChIkey IFRKCNPQVIJFAQ-PQVBWYSWSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C22H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)19-20-22(24)25/h3-4,6-7,9-10,12-13,15-18,21,23H,2,5,8,11,14,19-20H2,1H3,(H,24,25)/b4-3-,7-6-,10-9-,13-12-,16-15-,18-17+
SMILES CCC=CCC=CCC=CCC=CCC=CC=CC(O)CCC(O)=O
InChI Key IFRKCNPQVIJFAQ-PQVBWYSWSA-N
Molecular Formula C22H32O3
Exact Mass 344.235 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-UT000158
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:47:02.687194
MetadataModified 2024-01-11T12:47:02.865530
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL427140 ChEMBL
SCHEMBL2560647 SureChEMBL
14429109 PubChem
24710832 PubChem: Thomson Pharma
PD020993 ProbesDrugs
LMFA04000024 LipidMaps
J2.412.519J Nikkaji
72624 ChEBI
MTBLC72624 Metabolights
The data in this table is sourced from UniChem at EBI.