Dataset

Adrenalone; LC-ESI-Q; MS; POS; 75 V

This MassBank record with Accession MSBNK-Waters-WA001858 contains the MS mass spectrum of Adrenalone with the InChIkey PZMVOUYYNKPMSI-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H11NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,10-12H,5H2,1H3
SMILES CNCC(=O)c(c1)cc(O)c(O)c1
InChI Key PZMVOUYYNKPMSI-UHFFFAOYSA-N
Molecular Formula C9H11NO3
Exact Mass 181.074 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001858
Version
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 1-(3,4-dihydroxyphenyl)-2-(methylamino)ethanone
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB13394 drugbank
    CHEBI:134821 chebi
    CHEMBL2103996 chembl
    123124 surechembl
    29550997 surechembl
    7436 pubchem
    EGU41QL329 fdasrs
    PD013683 probes_and_drugs
    221017 brenda
    96 drugcentral
    94970 bindingdb
    The data in this table is sourced from UniChem at EBI.