Dataset

7-Hydroxy-4-methylcoumarin; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M-H]-

This MassBank record with Accession MSBNK-UFZ-UF419351 contains the MS2 mass spectrum of 7-Hydroxy-4-methylcoumarin with the InChIkey HSHNITRMYYLLCV-UHFFFAOYSA-N.

Chemical Information

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 CC1=CC(=O)OC2=CC(O)=CC=C12
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/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UF419351
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MetadataPublished 2017-01-05
Related Molecule
  • 7-hydroxy-4-methylchromen-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    90-33-5 ACToR
    LSM-3025 LINCS
    CANTABILINE clinicaltrials
    56275-29-7 ACToR
    3T5NG4Q468 FDA SRS
    SCHEMBL24150 SureChEMBL
    4-Methylumbelliferone(4-MU) Selleck
    15171253 PubChem: Thomson Pharma
    PD000163 ProbesDrugs
    60078690 NMRShiftDB
    5280567 PubChem
    36378197 eMolecules
    529222 eMolecules
    153751 Brenda
    10012 Brenda
    168122 Brenda
    961 Brenda
    45414 Brenda
    319 Brenda
    103045 Brenda
    HMDB0059622 Human Metabolome Database
    17224 Rhea
    CB5745737 ChemicalBook
    MCULE-3913656430 Mcule
    17224 ChEBI
    4541 Brenda
    232260 Brenda
    HY-N0187 MedChemExpress
    HYMECROMONE clinicaltrials
    HYMECROMONE rxnorm
    50022178 BindingDB
    MUMBEL CCDC
    J3.914D Nikkaji
    ZINC000000058121 ZINC
    DTXSID8025670 EPA CompTox Dashboard
    1401 DrugCentral
    CHEMBL12208 ChEMBL
    DB07118 DrugBank
    87550968 PubChem: Drugs of the Future
    C03081 KEGG Ligand
    4MU PDBe
    The data in this table is sourced from UniChem at EBI.