Dataset

4-Hydroxycoumarin

This MassBank record with Accession MSBNK-NaToxAq-NA000189 contains the MS2 mass spectrum of 4-Hydroxycoumarin with the InChIkey VXIXUWQIVKSKSA-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C9H6O3/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5,10H
SMILES	OC1=CC(=O)OC2=CC=CC=C12
InChI Key	VXIXUWQIVKSKSA-UHFFFAOYSA-N
Molecular Formula	C9H6O3
Exact Mass	162.032 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-NaToxAq-NA000189
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T19:15:53.201168
MetadataModified	2025-02-09T17:04:38.772433
MetadataPublished	2018-08-29

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
12015466	PubChem: Drugs of the Future
4HC	PDBe
CHEMBL301141	ChEMBL
J12.175D	Nikkaji
50055710	BindingDB
HOXCUM	CCDC
HY-N6856	MedChemExpress
DTXSID8061472	EPA CompTox Dashboard
DB03410	DrugBank
54682930	PubChem
PD016118	ProbesDrugs
15437558	PubChem: Thomson Pharma
X954ZLL2RD	FDA SRS
1076-38-6	ACToR
40070	ChEBI
520284	eMolecules
CB0760607	ChemicalBook
ZINC000018154848	ZINC
4484	Brenda
110262	Brenda
170389	Brenda
MCULE-5951606896	Mcule
SCHEMBL131312	SureChEMBL
20146986	NMRShiftDB
The data in this table is sourced from UniChem at EBI.