Dataset

17-HDoHE

This MassBank record with Accession MSBNK-Chubu_Univ-UT000132 contains the MS2 mass spectrum of 17-HDoHE with the InChIkey SWTYBBUBEPPYCX-BQRHHIOESA-N.

Chemical Info

molecular Image
InChI InChI=1S/C22H32O3/c1-2-3-15-18-21(23)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(24)25/h3,5-8,11-16,19,21,23H,2,4,9-10,17-18,20H2,1H3,(H,24,25)/b7-5-,8-6-,13-11-,14-12-,15-3+,19-16+
SMILES CCC=CCC(O)C=CC=CCC=CCC=CCC=CCCC(O)=O
InChI Key SWTYBBUBEPPYCX-BQRHHIOESA-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-UT000132
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:47:59.422589
MetadataModified 2024-01-11T12:47:59.598837
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134768375 PubChem
The data in this table is sourced from UniChem at EBI.