Dataset

4-Hydroxyquinoline

This MassBank record with Accession MSBNK-RIKEN-PR300779 contains the MS2 mass spectrum of 4-Hydroxyquinoline with the InChIkey PMZDQRJGMBOQBF-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C9H7NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h1-6H,(H,10,11)
SMILES	O=C1C=CNC2=CC=CC=C12
InChI Key	PMZDQRJGMBOQBF-UHFFFAOYSA-N
Molecular Formula	C9H7NO
Exact Mass	145.161 g/mol

Data and Resources

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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-PR300779
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T20:03:06.291421
MetadataModified	2025-02-09T18:28:57.894955
MetadataPublished	2019-03-28

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
C06343	KEGG Ligand
ES1	PDBe
15815	ChEBI
DTXSID50209980	EPA CompTox Dashboard
CB4372459	ChemicalBook
J7.017C	Nikkaji
155900	ChEBI
HMDB0246466	Human Metabolome Database
NICJOZ	CCDC
14321	BindingDB
J387.250E	Nikkaji
10023499	NMRShiftDB
611-36-9	ACToR
529-37-3	ACToR
CHEMBL1232567	ChEMBL
PD098672	ProbesDrugs
69141	PubChem
14992139	PubChem: Thomson Pharma
15194652	PubChem: Thomson Pharma
7533073	eMolecules
520174	eMolecules
22073	Brenda
169670	Brenda
97067	Brenda
ZINC000008579890	ZINC
135636	Brenda
15815	Rhea
CB2372460	ChemicalBook
29311	Brenda
SCHEMBL10031	SureChEMBL
MCULE-2146022175	Mcule
M1O131WXFO	FDA SRS
The data in this table is sourced from UniChem at EBI.