Dataset

2-Oxopyridine, 2-Pyridinol, 2-Hydroxypyridine, 2(1H)-Pyridone

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS008003 contains the MS2 mass spectrum of 2-Oxopyridine, 2-Pyridinol, 2-Hydroxypyridine, 2(1H)-Pyridone with the InChIkey UBQKCCHYAOITMY-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C5H5NO/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)
SMILES	C1=CC(=O)NC=C1
InChI Key	UBQKCCHYAOITMY-UHFFFAOYSA-N
Molecular Formula	C5H5NO
Exact Mass	95.101 g/mol

Data and Resources

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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-PS008003
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T21:07:09.969746
MetadataModified	2024-01-11T21:07:10.129211
MetadataPublished	2009-02-09

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL662	ChEMBL
16540	ChEBI
969449	eMolecules
521835	eMolecules
10016178	NMRShiftDB
SCHEMBL2355	SureChEMBL
20027597	NMRShiftDB
MCULE-3754843987	Mcule
J13.556I	Nikkaji
50538683	BindingDB
HITLII	CCDC
8871	PubChem
PD144419	ProbesDrugs
6770O3A2I5	FDA SRS
66396-89-2	ACToR
99010-64-7	ACToR
142-08-5	ACToR
15119674	PubChem: Thomson Pharma
109-10-4	ACToR
72762-00-6	ACToR
15296956	PubChem: Thomson Pharma
27341-45-3	ACToR
48125	Brenda
172027	Brenda
29392	Brenda
MTBLC16540	Metabolights
C02502	KEGG Ligand
CB1137756	ChemicalBook
HRZ	PDBe
HMDB0013751	Human Metabolome Database
16540	Rhea
CB8137755	ChemicalBook
T5Y	PDBe
ZINC000008737707	ZINC
DTXSID2051716	EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.