Dataset

3,5-Dimethoxy-4-hydroxyacetophenone

This MassBank record with Accession MSBNK-BS-BS003072 contains the MS mass spectrum of 3,5-Dimethoxy-4-hydroxyacetophenone with the InChIkey OJOBTAOGJIWAGB-UHFFFAOYSA-N.

Chemical Info

molecular Image
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 C(C(=O)C1=C(C(=C(C(=C1[H])OC([H])([H])[H])O[H])OC([H])([H])[H])[H])([H])([H])[H]
InChI Key OJOBTAOGJIWAGB-UHFFFAOYSA-N
Molecular Formula C10H12O4
Exact Mass 196.074 g/mol

Data and Resources

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-BS003072
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:35:46.998932
MetadataModified 2024-01-11T12:35:47.184097
MetadataPublished 2017-12-01
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.