Dataset

7-HDoHE

This MassBank record with Accession MSBNK-Chubu_Univ-UT000192 contains the MS2 mass spectrum of 7-HDoHE with the InChIkey OZXAIGIRPOOJTI-XJAVJPOHSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C22H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21(23)19-16-14-17-20-22(24)25/h3-4,6-7,9-10,12-16,18,21,23H,2,5,8,11,17,19-20H2,1H3,(H,24,25)/b4-3-,7-6-,10-9-,13-12-,16-14-,18-15+
SMILES CCC=CCC=CCC=CCC=CC=CC(O)CC=CCCC(O)=O
InChI Key OZXAIGIRPOOJTI-XJAVJPOHSA-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-UT000192
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:47:08.706261
MetadataModified 2024-01-11T12:47:08.850748
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
LMFA04000025 LipidMaps
SCHEMBL3408576 SureChEMBL
MTBLC72623 Metabolights
16061142 PubChem
72623 ChEBI
PD020992 ProbesDrugs
87556538 PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.