Dataset

2,4-Dihydroxyacetophenone

This MassBank record with Accession MSBNK-BS-BS003102 contains the MS mass spectrum of 2,4-Dihydroxyacetophenone with the InChIkey SULYEHHGGXARJS-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C8H8O3/c1-5(9)7-3-2-6(10)4-8(7)11/h2-4,10-11H,1H3
SMILES	C(C(=O)C1=C(C(=C(C(=C1[H])[H])O[H])[H])O[H])([H])([H])[H]
InChI Key	SULYEHHGGXARJS-UHFFFAOYSA-N
Molecular Formula	C8H8O3
Exact Mass	152.047 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-BS-BS003102
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T12:35:15.403940
MetadataModified	2024-01-11T12:35:15.562693
MetadataPublished	2017-12-01

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
6990	PubChem
14843025	PubChem: Thomson Pharma
PD065277	ProbesDrugs
SCHEMBL26357	SureChEMBL
954-97-2	ACToR
89-84-9	ACToR
UC3V356VZC	FDA SRS
J4.309E	Nikkaji
GINCAI	CCDC
20040398	NMRShiftDB
MCULE-8687773185	Mcule
ZINC000000038028	ZINC
50241221	BindingDB
DTXSID4058998	EPA CompTox Dashboard
HY-Y0694	MedChemExpress
MTBLC18414	Metabolights
71294	Brenda
94911	Brenda
18414	ChEBI
97400	Brenda
CB4391766	ChemicalBook
HMDB0029659	Human Metabolome Database
CHEMBL243374	ChEMBL
C03663	KEGG Ligand
502434	eMolecules
The data in this table is sourced from UniChem at EBI.