Dataset

Kainic acid

This MassBank record with Accession MSBNK-RIKEN-PR300709 contains the MS2 mass spectrum of Kainic acid with the InChIkey VLSMHEGGTFMBBZ-OOZYFLPDSA-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)/t6-,7+,9-/m0/s1
SMILES CC(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O
InChI Key VLSMHEGGTFMBBZ-OOZYFLPDSA-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-PR300709
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:43:11.039184
MetadataModified 2024-01-11T20:43:11.208053
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CB2351306 ChemicalBook
50002369 BindingDB
J9.244D Nikkaji
HY-N2309 MedChemExpress
ZINC000003995575 ZINC
3201 DrugCentral
DTXSID7040526 EPA CompTox Dashboard
CHEMBL275040 ChEMBL
C12819 KEGG Ligand
KAI PDBe
31746 ChEBI
30102 Brenda
MTBLC31746 Metabolights
1934130 eMolecules
PD002700 ProbesDrugs
44338126 PubChem
10255 PubChem
15220270 PubChem: Thomson Pharma
487-79-6 ACToR
59905-23-6 ACToR
16167740 PubChem: Thomson Pharma
kainic acid Atlas
kainate Atlas
SIV03811UC FDA SRS
SCHEMBL15777 SureChEMBL
10017620 NMRShiftDB
The data in this table is sourced from UniChem at EBI.