Dataset

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

This MassBank record with Accession MSBNK-RIKEN-PR308181 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-PR308181
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T20:41:12.678554
MetadataModified	2024-01-11T20:41:12.830069
MetadataPublished	2019-03-28

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

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