Dataset

2,6-Dihydroxyacetophenone

This MassBank record with Accession MSBNK-BS-BS003110 contains the MS2 mass spectrum of 2,6-Dihydroxyacetophenone with the InChIkey YPTJKHVBDCRKNF-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C8H8O3/c1-5(9)8-6(10)3-2-4-7(8)11/h2-4,10-11H,1H3
SMILES	C(C(=O)C1=C(C(=C(C(=C1O[H])[H])[H])[H])O[H])([H])([H])[H]
InChI Key	YPTJKHVBDCRKNF-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-BS003110
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T12:34:31.682009
MetadataModified	2024-01-11T12:34:31.854661
MetadataPublished	2017-12-01

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL454739	ChEMBL
173644	ChEBI
9EQ	PDBe
HY-Y0106	MedChemExpress
DTXSID00220185	EPA CompTox Dashboard
50249071	BindingDB
J141.629D	Nikkaji
WAKHEW	CCDC
ZINC000000157768	ZINC
HMDB0029660	Human Metabolome Database
71295	Brenda
CB9707858	ChemicalBook
88BO51G3Y2	FDA SRS
699-83-2	ACToR
15120176	PubChem: Thomson Pharma
SCHEMBL105807	SureChEMBL
PD158440	ProbesDrugs
20209859	NMRShiftDB
69687	PubChem
MCULE-4595729640	Mcule
476215	eMolecules
The data in this table is sourced from UniChem at EBI.