Dataset

3',5'-Dimethoxy-4'-hydroxyacetophenone

This MassBank record with Accession MSBNK-RIKEN-PR308193 contains the MS2 mass spectrum of 3',5'-Dimethoxy-4'-hydroxyacetophenone with the InChIkey OJOBTAOGJIWAGB-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C10H12O4/c1-6(11)7-4-8(13-2)10(12)9(5-7)14-3/h4-5,12H,1-3H3
SMILES	COC1=CC(=CC(OC)=C1O)C(C)=O
InChI Key	OJOBTAOGJIWAGB-UHFFFAOYSA-N
Molecular Formula	C10H12O4
Exact Mass	196.202 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-PR308193
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T20:40:24.565813
MetadataModified	2025-02-09T18:07:58.150747
MetadataPublished	2019-03-28

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
HY-W009884	MedChemExpress
AJEVUH	CCDC
ZINC000000156899	ZINC
J55.026D	Nikkaji
DTXSID2062454	EPA CompTox Dashboard
C10664	KEGG Ligand
CHEMBL224146	ChEMBL
2404	ChEBI
MTBLC2404	Metabolights
175056	Brenda
90137	Brenda
16488	Brenda
CB8408295	ChemicalBook
219590	Brenda
866P45Y84S	FDA SRS
20040772	NMRShiftDB
MCULE-7881518363	Mcule
17198	PubChem
PD001995	ProbesDrugs
15017715	PubChem: Thomson Pharma
SCHEMBL15511	SureChEMBL
2478-38-8	ACToR
LSM-25648	LINCS
503607	eMolecules
The data in this table is sourced from UniChem at EBI.