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

molecular Image
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

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