Dataset

Adrenalone; LC-ESI-Q; MS; POS; 45 V

This MassBank record with Accession MSBNK-Waters-WA001860 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-WA001860
Version
Author
Maintainer
Language
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
    7436 PubChem
    134821 ChEBI
    ZINC000034781660 ZINC
    J4.970K Nikkaji
    ADRENALONE rxnorm
    MCULE-5219258762 Mcule
    94970 BindingDB
    96 DrugCentral
    CB1388796 ChemicalBook
    DTXSID5048710 EPA CompTox Dashboard
    20207976 NMRShiftDB
    DB13394 DrugBank
    EGU41QL329 FDA SRS
    99-45-6 ACToR
    741340 eMolecules
    15437950 PubChem: Thomson Pharma
    PD013683 ProbesDrugs
    SCHEMBL123124 SureChEMBL
    CHEMBL2103996 ChEMBL
    221017 Brenda
    The data in this table is sourced from UniChem at EBI.