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