Dataset

2'-Hydroxy-4'-methoxychalcone

This MassBank record with Accession MSBNK-BS-BS003810 contains the MS2 mass spectrum of 2'-Hydroxy-4'-methoxychalcone with the InChIkey GUNGQVJAKLIYDG-JXMROGBWSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H14O3/c1-19-13-8-9-14(16(18)11-13)15(17)10-7-12-5-3-2-4-6-12/h2-11,18H,1H3/b10-7+
SMILES C(OC1=C(C(=C(C(=C1[H])[H])C(=O)/C(=C(/C2=C(C(=C(C(=C2[H])[H])[H])[H])[H])\[H])/[H])O[H])[H])([H])([H])[H]
InChI Key GUNGQVJAKLIYDG-JXMROGBWSA-N
Molecular Formula C16H14O3
Exact Mass 254.094 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-BS003810
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:37:30.062029
MetadataModified 2024-01-11T12:37:30.220451
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL317469 ChEMBL
ZINC000004104687 ZINC
J811.406D Nikkaji
50106922 BindingDB
J1.353.846H Nikkaji
REPXIW CCDC
927230 eMolecules
14823548 PubChem: Thomson Pharma
5380645 PubChem
60030589 NMRShiftDB
39273-61-5 ACToR
SCHEMBL5088548 SureChEMBL
The data in this table is sourced from UniChem at EBI.