Dataset

Coumarin 338

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80995 contains the MS mass spectrum of Coumarin 338 with the InChIkey XSHJSSYQUYNTBG-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H23NO4/c1-20(2,3)25-19(23)15-11-13-10-12-6-4-8-21-9-5-7-14(16(12)21)17(13)24-18(15)22/h10-11H,4-9H2,1-3H3
SMILES CC(C)(C)OC(=O)C1=CC2=CC3=C4C(=C2OC1=O)CCCN4CCC3
InChI Key XSHJSSYQUYNTBG-UHFFFAOYSA-N
Molecular Formula C20H23NO4
Exact Mass 341.163 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-BML80995
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:25:27.381562
MetadataModified 2024-01-11T22:25:27.603331
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
112912 PubChem
J307.114F Nikkaji
TEJREF CCDC
SCHEMBL10123976 SureChEMBL
62669-75-4 ACToR
14851529 PubChem: Thomson Pharma
MCULE-6301777048 Mcule
DTXSID0069622 EPA CompTox Dashboard
ZINC000002510089 ZINC
717980 eMolecules
The data in this table is sourced from UniChem at EBI.