Dataset

2',4'-Dihydroxychalcone

This MassBank record with Accession MSBNK-BS-BS003775 contains the MS2 mass spectrum of 2',4'-Dihydroxychalcone with the InChIkey JUMSUVHHUVPSOY-RMKNXTFCSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H12O3/c16-12-7-8-13(15(18)10-12)14(17)9-6-11-4-2-1-3-5-11/h1-10,16,18H/b9-6+
SMILES C1(=C(C(=C(C(=C1[H])[H])/C(=C(/C(=O)C2=C(C(=C(C(=C2[H])[H])O[H])[H])O[H])\[H])/[H])[H])[H])[H]
InChI Key JUMSUVHHUVPSOY-RMKNXTFCSA-N
Molecular Formula C15H12O3
Exact Mass 240.079 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-BS003775
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:35:18.679815
MetadataModified 2024-01-11T12:35:18.838003
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL105310 ChEMBL
LMPK12120016 LipidMaps
ZINC000004252553 ZINC
50042987 BindingDB
56867 Brenda
12290 Brenda
5376979 PubChem
60026831 NMRShiftDB
15415875 PubChem: Thomson Pharma
1776-30-3 ACToR
25515-43-9 ACToR
PD000608 ProbesDrugs
SCHEMBL127341 SureChEMBL
J72.675C Nikkaji
FAJXIX CCDC
J1.353.843C Nikkaji
The data in this table is sourced from UniChem at EBI.