Dataset

7-Hydroxy-3(4-methoxyphenyl) coumarin

This MassBank record with Accession MSBNK-BS-BS003761 contains the MS2 mass spectrum of 7-Hydroxy-3(4-methoxyphenyl) coumarin with the InChIkey VGYCHSOZFBOOKO-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H12O4/c1-19-13-6-3-10(4-7-13)14-8-11-2-5-12(17)9-15(11)20-16(14)18/h2-9,17H,1H3
SMILES C1=C(C=C2C(=C1)C=C(C(O2)=O)C3=CC=C(OC)C=C3)O
InChI Key VGYCHSOZFBOOKO-UHFFFAOYSA-N
Molecular Formula C16H12O4
Exact Mass 268.074 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-BS003761
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:36:47.869270
MetadataModified 2024-01-11T12:36:48.039350
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
834303 eMolecules
CHEMBL1392132 ChEMBL
ZINC000000058028 ZINC
15466590 PubChem: Thomson Pharma
5393174 PubChem
J3.133.883B Nikkaji
MCULE-4025122626 Mcule
SCHEMBL949458 SureChEMBL
The data in this table is sourced from UniChem at EBI.