Dataset

MDA; LC-ESI-Q; MS; POS; 60 V

This MassBank record with Accession MSBNK-Waters-WA000404 contains the MS mass spectrum of MDA with the InChIkey NGBBVGZWCFBOGO-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H13NO2/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5,7H,4,6,11H2,1H3
SMILES CC(N)Cc(c1)cc(O2)c(OC2)c1
InChI Key NGBBVGZWCFBOGO-UHFFFAOYSA-N
Molecular Formula C10H13NO2
Exact Mass 179.095 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-WA000404
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 1-(1,3-benzodioxol-5-yl)propan-2-amine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB01509 drugbank
    CHEBI:166520 chebi
    CHEMBL6731 chembl
    29392330 surechembl
    393456 surechembl
    1614 pubchem
    XJZ28FJ27W fdasrs
    PD008818 probes_and_drugs
    136573 brenda
    HMDB0041931 hmdb
    50005247 bindingdb
    The data in this table is sourced from UniChem at EBI.