Dataset

6-Methylcoumarin

This MassBank record with Accession MSBNK-Fiocruz-FIO00182 contains the MS2 mass spectrum of 6-Methylcoumarin with the InChIkey FXFYOPQLGGEACP-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C10H8O2/c1-7-2-4-9-8(6-7)3-5-10(11)12-9/h2-6H,1H3
SMILES	Cc(c2)cc(C=1)c(c2)OC(=O)C1
InChI Key	FXFYOPQLGGEACP-UHFFFAOYSA-N
Molecular Formula	C10H8O2
Exact Mass	160.052 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00182
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T16:42:18.161488
MetadataModified	2024-01-11T16:42:18.337222
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CB8691534	ChemicalBook
HMDB0032394	Human Metabolome Database
HY-N1406	MedChemExpress
3AV	PDBe
ZINC000000057740	ZINC
DTXSID9025588	EPA CompTox Dashboard
MCULE-7058949897	Mcule
J3.219K	Nikkaji
EGOSEA	CCDC
7092	PubChem
PD087827	ProbesDrugs
EHP8W0L01A	FDA SRS
1333-47-7	ACToR
15219366	PubChem: Thomson Pharma
92-48-8	ACToR
563586	ChEBI
SCHEMBL194842	SureChEMBL
98276-91-6	ACToR
CHEMBL443436	ChEMBL
591857	eMolecules
The data in this table is sourced from UniChem at EBI.