Dataset

3,4-Dihydrocoumarin

This MassBank record with Accession MSBNK-Fiocruz-FIO00507 contains the MS2 mass spectrum of 3,4-Dihydrocoumarin with the InChIkey VMUXSMXIQBNMGZ-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C9H8O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H2
SMILES	O=C(C1)Oc(c2)c(ccc2)C1
InChI Key	VMUXSMXIQBNMGZ-UHFFFAOYSA-N
Molecular Formula	C9H8O2
Exact Mass	148.052 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-FIO00507
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T16:43:34.870819
MetadataModified	2024-01-11T16:43:35.057503
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
MCULE-8376228418	Mcule
J36.832F	Nikkaji
10009218	NMRShiftDB
660	PubChem
PD087965	ProbesDrugs
NM5K1Y1BT2	FDA SRS
15091042	PubChem: Thomson Pharma
SCHEMBL28795	SureChEMBL
119-84-6	ACToR
ZINC000005934751	ZINC
50146070	BindingDB
DTXSID2020474	EPA CompTox Dashboard
3630	Brenda
HY-N1926	MedChemExpress
CB4413174	ChemicalBook
HMDB0036626	Human Metabolome Database
MTBLC16151	Metabolights
10978	Brenda
54727	Brenda
16151	Rhea
CHEMBL89306	ChEMBL
C02274	KEGG Ligand
16151	ChEBI
536801	eMolecules
The data in this table is sourced from UniChem at EBI.