Dataset

3,4-Dihydrocoumarin

This MassBank record with Accession MSBNK-Fiocruz-FIO00508 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-FIO00508
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T16:36:44.128230
MetadataModified	2024-01-11T16:36:44.293064
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
50146070	BindingDB
HY-N1926	MedChemExpress
ZINC000005934751	ZINC
DTXSID2020474	EPA CompTox Dashboard
3630	Brenda
MCULE-8376228418	Mcule
J36.832F	Nikkaji
10009218	NMRShiftDB
C02274	KEGG Ligand
16151	ChEBI
CHEMBL89306	ChEMBL
536801	eMolecules
119-84-6	ACToR
660	PubChem
SCHEMBL28795	SureChEMBL
15091042	PubChem: Thomson Pharma
NM5K1Y1BT2	FDA SRS
PD087965	ProbesDrugs
MTBLC16151	Metabolights
HMDB0036626	Human Metabolome Database
16151	Rhea
MolPort-000-824-513	MolPort
10978	Brenda
54727	Brenda
CB4413174	ChemicalBook
The data in this table is sourced from UniChem at EBI.