Dataset

6-Methylflavonol

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00303 contains the MS2 mass spectrum of 6-Methylflavonol with the InChIkey KLGALCMPMFKGDQ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H12O3/c1-10-7-8-13-12(9-10)14(17)15(18)16(19-13)11-5-3-2-4-6-11/h2-9,18H,1H3
SMILES CC1=CC2=C(C=C1)OC(=C(C2=O)O)C3=CC=CC=C3
InChI Key KLGALCMPMFKGDQ-UHFFFAOYSA-N
Molecular Formula C16H12O3
Exact Mass 252.079 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00303
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:28:41.940382
MetadataModified 2024-01-11T22:28:42.088441
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL483835 ChEMBL
4368540 eMolecules
ZINC000000039120 ZINC
DTXSID60280907 EPA CompTox Dashboard
227445 PubChem
6971-18-2 ACToR
49756529 PubChem: Thomson Pharma
SCHEMBL4650064 SureChEMBL
MCULE-6622952108 Mcule
J435.666G Nikkaji
The data in this table is sourced from UniChem at EBI.