Dataset

4-Methylumbelliferone

This MassBank record with Accession MSBNK-BS-BS003115 contains the MS mass spectrum of 4-Methylumbelliferone with the InChIkey HSHNITRMYYLLCV-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3
SMILES	C(C1=C(C(=O)OC2=C1C(=C(C(=C2[H])O[H])[H])[H])[H])([H])([H])[H]
InChI Key	HSHNITRMYYLLCV-UHFFFAOYSA-N
Molecular Formula	C10H8O3
Exact Mass	176.047 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003115
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T12:35:36.927109
MetadataModified	2024-01-11T12:35:37.082138
MetadataPublished	2017-12-01

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
60078690	NMRShiftDB
PD000163	ProbesDrugs
CANTABILINE	clinicaltrials
3T5NG4Q468	FDA SRS
LSM-3025	LINCS
15171253	PubChem: Thomson Pharma
56275-29-7	ACToR
SCHEMBL24150	SureChEMBL
4-Methylumbelliferone(4-MU)	Selleck
90-33-5	ACToR
961	Brenda
45414	Brenda
319	Brenda
103045	Brenda
17224	Rhea
HMDB0059622	Human Metabolome Database
CB5745737	ChemicalBook
153751	Brenda
10012	Brenda
168122	Brenda
MCULE-3913656430	Mcule
17224	ChEBI
5280567	PubChem
36378197	eMolecules
529222	eMolecules
ZINC000000058121	ZINC
50022178	BindingDB
1401	DrugCentral
MUMBEL	CCDC
DTXSID8025670	EPA CompTox Dashboard
HYMECROMONE	clinicaltrials
HY-N0187	MedChemExpress
232260	Brenda
4541	Brenda
J3.914D	Nikkaji
HYMECROMONE	rxnorm
CHEMBL12208	ChEMBL
4MU	PDBe
C03081	KEGG Ligand
DB07118	DrugBank
87550968	PubChem: Drugs of the Future
The data in this table is sourced from UniChem at EBI.