Dataset

MDEA; LC-ESI-Q; MS; POS; 15 V

This MassBank record with Accession MSBNK-Waters-WA002295 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-WA002295
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
    SCHEMBL715096 SureChEMBL
    15220149 PubChem: Thomson Pharma
    PD008777 ProbesDrugs
    14089-52-2 ACToR
    82801-81-8 ACToR
    105039 PubChem
    DTXSID70860971 EPA CompTox Dashboard
    CHEMBL126279 ChEMBL
    DB01566 DrugBank
    J1.191.663E Nikkaji
    J263.855J Nikkaji
    132234 ChEBI
    ML1I4KK67B FDA SRS
    HMDB0254369 Human Metabolome Database
    The data in this table is sourced from UniChem at EBI.