Dataset

Coumatetralyl; LC-ESI-Q; MS; NEG; 30 V

This MassBank record with Accession MSBNK-Waters-WA002777 contains the MS mass spectrum of Coumatetralyl with the InChIkey ULSLJYXHZDTLQK-UHFFFAOYSA-N.

Chemical Information

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

CoumatetralylHTML

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Related Molecule ⌄

4-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)chromen-2-one

Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002777
Version
Author
Maintainer
Language
MetadataPublished	2016-01-19
Related Molecule	4-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)chromen-2-one

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEBI:80742	chebi
CHEMBL3184636	chembl
137261	surechembl
29449858	surechembl
54678504	pubchem
NWK4HW86A8	fdasrs
37555	brenda
HMDB0250496	hmdb
DTXSID8041799	comptox
Molport-003-933-353	molport
The data in this table is sourced from UniChem at EBI.