Dataset

5,7-Dimethoxy-4-methylcoumarin

This MassBank record with Accession MSBNK-Washington_State_Univ-BML01472 contains the MS2 mass spectrum of 5,7-Dimethoxy-4-methylcoumarin with the InChIkey WFSKVHPOKPQJSU-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H12O4/c1-7-4-11(13)16-10-6-8(14-2)5-9(15-3)12(7)10/h4-6H,1-3H3
SMILES CC1=CC(=O)OC2=CC(=CC(=C12)OC)OC
InChI Key WFSKVHPOKPQJSU-UHFFFAOYSA-N
Molecular Formula C12H12O4
Exact Mass 220.074 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-BML01472
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:26:37.387398
MetadataModified 2024-01-11T22:26:37.605134
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
PD011768 ProbesDrugs
LSM-32514 LINCS
390799 PubChem
16533775 PubChem: Thomson Pharma
SCHEMBL67224 SureChEMBL
J345.883K Nikkaji
MCULE-5725483513 Mcule
93218 BindingDB
ZINC000000058042 ZINC
121071 ChEBI
CHEMBL1324939 ChEMBL
641197 eMolecules
The data in this table is sourced from UniChem at EBI.