Dataset

MDEA; LC-ESI-Q; MS; POS; 60 V, 90 V

This MassBank record with Accession MSBNK-Waters-WA002292 contains the MS mass spectrum of MDEA with the InChIkey PVXVWWANJIWJOO-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H17NO2/c1-3-13-9(2)6-10-4-5-11-12(7-10)15-8-14-11/h4-5,7,9,13H,3,6,8H2,1-2H3
SMILES CCNC(C)Cc(c1)cc(O2)c(OC2)c1
InChI Key PVXVWWANJIWJOO-UHFFFAOYSA-N
Molecular Formula C12H17NO2
Exact Mass 207.126 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-WA002292
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 1-(1,3-benzodioxol-5-yl)-N-ethylpropan-2-amine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB01566 drugbank
    CHEBI:132234 chebi
    CHEMBL126279 chembl
    29350327 surechembl
    715096 surechembl
    105039 pubchem
    ML1I4KK67B fdasrs
    PD008777 probes_and_drugs
    HMDB0254369 hmdb
    DTXSID70860971 comptox
    The data in this table is sourced from UniChem at EBI.