Dataset

4-Methylumbelliferone; LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-

This MassBank record with Accession MSBNK-BS-BS003114 contains the MS2 mass spectrum of 4-Methylumbelliferone 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 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-BS003114
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Maintainer
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MetadataPublished 2017-12-01
Related Molecule
  • 7-hydroxy-4-methylchromen-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB07118 drugbank
    CHEBI:17224 chebi
    4MU rcsb_pdb
    CHEMBL12208 chembl
    24150 surechembl
    29364837 surechembl
    5280567 pubchem
    3T5NG4Q468 fdasrs
    PD000163 probes_and_drugs
    MUMBEL CCDC
    10012 brenda
    103045 brenda
    153751 brenda
    168122 brenda
    232260 brenda
    319 brenda
    4541 brenda
    45414 brenda
    961 brenda
    HMDB0059622 hmdb
    Molport-000-467-367 molport
    1401 drugcentral
    50022178 bindingdb
    The data in this table is sourced from UniChem at EBI.