Dataset

Coumatetralyl

This MassBank record with Accession MSBNK-Waters-WA002782 contains the MS mass spectrum of Coumatetralyl with the InChIkey ULSLJYXHZDTLQK-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C19H16O3/c20-18-15-9-3-4-11-16(15)22-19(21)17(18)14-10-5-7-12-6-1-2-8-13(12)14/h1-4,6,8-9,11,14,20H,5,7,10H2
SMILES c(c4)cc(C3)c(c4)C(CC3)C(C(=O)1)=C(O)c(c2)c(ccc2)O1
InChI Key ULSLJYXHZDTLQK-UHFFFAOYSA-N
Molecular Formula C19H16O3
Exact Mass 292.110 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002782
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:49:38.821098
MetadataModified 2024-01-11T22:49:38.979458
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
NWK4HW86A8 FDA SRS
DTXSID8041799 EPA CompTox Dashboard
80742 ChEBI
J3.723K Nikkaji
SCHEMBL137261 SureChEMBL
HMDB0250496 Human Metabolome Database
CHEMBL3184636 ChEMBL
C16806 KEGG Ligand
2725441 eMolecules
54678504 PubChem
15443345 PubChem: Thomson Pharma
5836-29-3 ACToR
37555 Brenda
The data in this table is sourced from UniChem at EBI.