Dataset

6,7-Dimethoxy-4-methylcoumarin

This MassBank record with Accession MSBNK-Washington_State_Univ-BML01193 contains the MS2 mass spectrum of 6,7-Dimethoxy-4-methylcoumarin with the InChIkey GBYDSYPGGDKWGZ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H12O4/c1-7-4-12(13)16-9-6-11(15-3)10(14-2)5-8(7)9/h4-6H,1-3H3
SMILES CC1=CC(=O)OC2=CC(=C(C=C12)OC)OC
InChI Key GBYDSYPGGDKWGZ-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-BML01193
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:25:11.093317
MetadataModified 2024-01-11T22:25:11.239845
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-4576976946 Mcule
77966 PubChem
SCHEMBL606446 SureChEMBL
ZINC000000140178 ZINC
CB7303522 ChemicalBook
J102.747F Nikkaji
DTXSID90195494 EPA CompTox Dashboard
143731 ChEBI
M95TSC752B FDA SRS
16436256 PubChem: Thomson Pharma
CHEMBL1991600 ChEMBL
4281-40-7 ACToR
70074137 NMRShiftDB
497176 eMolecules
The data in this table is sourced from UniChem at EBI.