Dataset

Kainic acid

This MassBank record with Accession MSBNK-RIKEN-PR304850 contains the MS2 mass spectrum of Kainic acid with the InChIkey VLSMHEGGTFMBBZ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)
SMILES CC(=C)C1CNC(C1CC(O)=O)C(O)=O
InChI Key VLSMHEGGTFMBBZ-UHFFFAOYSA-N
Molecular Formula C10H15NO4
Exact Mass 213.233 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-PR304850
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T19:27:22.146964
MetadataModified 2025-02-09T18:29:20.447699
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
3816 PubChem
PD074760 ProbesDrugs
182452 ChEBI
5242831 PubChem
SCHEMBL975038 SureChEMBL
15414614 PubChem: Thomson Pharma
62137-25-1 ACToR
1987340 eMolecules
CHEMBL290943 ChEMBL
HMDB0253757 Human Metabolome Database
J3.167.449B Nikkaji
KAINAC CCDC
The data in this table is sourced from UniChem at EBI.