Dataset

Hydroxysuberic acid

This MassBank record with Accession MSBNK-RIKEN-PR309131 contains the MS2 mass spectrum of Hydroxysuberic acid with the InChIkey ARJZZFJXSNJKGR-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C8H14O5/c9-6(5-8(12)13)3-1-2-4-7(10)11/h6,9H,1-5H2,(H,10,11)(H,12,13)
SMILES O=C(O)CCCCC(O)CC(=O)O
InChI Key ARJZZFJXSNJKGR-UHFFFAOYSA-N
Molecular Formula C8H14O5
Exact Mass 190.195 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-RIKEN-PR309131
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:39:36.357320
MetadataModified 2025-02-09T17:37:26.879468
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
70766 ChEBI
22328017 PubChem
DTXSID20624863 EPA CompTox Dashboard
LMFA01170093 LipidMaps
J682.211H Nikkaji
SCHEMBL4726364 SureChEMBL
HMDB0000325 Human Metabolome Database
MTBLC70766 Metabolights
The data in this table is sourced from UniChem at EBI.