Dataset

6-Hydroxy-4-methylcoumarin, 6-Hydroxy-4-methyl-2-benzopyrone

This MassBank record with Accession MSBNK-Washington_State_Univ-BML01412 contains the MS2 mass spectrum of 6-Hydroxy-4-methylcoumarin, 6-Hydroxy-4-methyl-2-benzopyrone with the InChIkey IRUHWRSITUYICV-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C10H8O3/c1-6-4-10(12)13-9-3-2-7(11)5-8(6)9/h2-5,11H,1H3
SMILES CC1=CC(=O)OC2=C1C=C(C=C2)O
InChI Key IRUHWRSITUYICV-UHFFFAOYSA-N
Molecular Formula C10H8O3
Exact Mass 176.047 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-BML01412
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:27:37.033775
MetadataModified 2024-01-11T22:27:37.238618
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
50078830 BindingDB
ZINC000000034930 ZINC
DTXSID90178404 EPA CompTox Dashboard
HY-N6658 MedChemExpress
CB9272288 ChemicalBook
75409 PubChem
MCULE-4501305082 Mcule
J213.233H Nikkaji
PD088322 ProbesDrugs
14772661 PubChem: Thomson Pharma
SCHEMBL128001 SureChEMBL
2373-31-1 ACToR
CHEMBL12626 ChEMBL
519402 eMolecules
The data in this table is sourced from UniChem at EBI.