Dataset

6-Hydroxynicotinate, ,6-Dihydro-6-oxo-3-pyridinecarboxylic acid, 2-Hydroxy-5-pyridinecarboxylic acid, 6-Hydroxypyridine-3-carboxylic acid, 6-Hydroxynicotinic Acid

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS063902 contains the MS2 mass spectrum of 6-Hydroxynicotinate, ,6-Dihydro-6-oxo-3-pyridinecarboxylic acid, 2-Hydroxy-5-pyridinecarboxylic acid, 6-Hydroxypyridine-3-carboxylic acid, 6-Hydroxynicotinic Acid with the InChIkey BLHCMGRVFXRYRN-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C6H5NO3/c8-5-2-1-4(3-7-5)6(9)10/h1-3H,(H,7,8)(H,9,10)
SMILES C1=CC(=O)NC=C1C(=O)O
InChI Key BLHCMGRVFXRYRN-UHFFFAOYSA-N
Molecular Formula C6H5NO3
Exact Mass 139.110 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PS063902
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:08:11.945057
MetadataModified 2025-02-09T19:28:14.509914
MetadataPublished 2009-02-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J208I Nikkaji
DTXSID0057754 EPA CompTox Dashboard
HY-W001996 MedChemExpress
GIHCOQ CCDC
CHEMBL95293 ChEMBL
16168 ChEBI
C01020 KEGG Ligand
72924 PubChem
60023130 NMRShiftDB
PD124003 ProbesDrugs
OA7 PDBe
15170750 PubChem: Thomson Pharma
SCHEMBL185991 SureChEMBL
5006-66-6 ACToR
8PLJ71N310 FDA SRS
7689896 eMolecules
480329 eMolecules
ZINC000008576188 ZINC
MTBLC16168 Metabolights
126420 Brenda
20067 Brenda
2719 Brenda
HMDB0002658 Human Metabolome Database
CB5119727 ChemicalBook
MCULE-8547168855 Mcule
The data in this table is sourced from UniChem at EBI.