Dataset

2-HYDROXY-4,5-DIMETHOXYACETOPHENONE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP000537 contains the MS mass spectrum of 2-HYDROXY-4,5-DIMETHOXYACETOPHENONE with the InChIkey KEQHBVWVKYHDCS-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C10H12O4/c1-6(11)7-4-9(13-2)10(14-3)5-8(7)12/h4-5,12H,1-3H3
SMILES COc(c1)c(OC)cc(C(C)=O)c(O)1
InChI Key KEQHBVWVKYHDCS-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-Fac_Eng_Univ_Tokyo-JP000537
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:56:13.625770
MetadataModified 2024-01-11T15:56:13.793666
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1338374 ChEMBL
539462 eMolecules
NEQDIY CCDC
ZINC000000093665 ZINC
DTXSID40351684 EPA CompTox Dashboard
CB6153764 ChemicalBook
20628-06-2 ACToR
SCHEMBL3661837 SureChEMBL
706870 PubChem
16569907 PubChem: Thomson Pharma
MCULE-8919794743 Mcule
20208053 NMRShiftDB
J47.712E Nikkaji
The data in this table is sourced from UniChem at EBI.