Dataset

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

This MassBank record with Accession MSBNK-Waters-WA000405 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-WA000405
Version
Author
Maintainer
Language
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
    1465811 bindingdb
    1465812 bindingdb
    1465813 bindingdb
    1465814 bindingdb
    1465815 bindingdb
    1465816 bindingdb
    1465817 bindingdb
    1465818 bindingdb
    1465819 bindingdb
    1465820 bindingdb
    1465821 bindingdb
    1465822 bindingdb
    1465823 bindingdb
    1465824 bindingdb
    1465825 bindingdb
    1465826 bindingdb
    1465827 bindingdb
    1465828 bindingdb
    1465829 bindingdb
    1465830 bindingdb
    1465831 bindingdb
    1465832 bindingdb
    1465833 bindingdb
    1465834 bindingdb
    1465835 bindingdb
    1465836 bindingdb
    1465837 bindingdb
    1465838 bindingdb
    1465839 bindingdb
    1465840 bindingdb
    1465841 bindingdb
    1465842 bindingdb
    1465843 bindingdb
    1465844 bindingdb
    1465845 bindingdb
    1465846 bindingdb
    1465847 bindingdb
    162497 bindingdb
    162498 bindingdb
    177206 bindingdb
    177264 bindingdb
    177322 bindingdb
    177379 bindingdb
    177435 bindingdb
    177493 bindingdb
    186485 bindingdb
    186503 bindingdb
    186504 bindingdb
    186549 bindingdb
    186571 bindingdb
    188067 bindingdb
    391479 bindingdb
    391480 bindingdb
    391481 bindingdb
    391482 bindingdb
    50058508 bindingdb
    50108321 bindingdb
    50108322 bindingdb
    50559075 bindingdb
    50559079 bindingdb
    50559084 bindingdb
    50559085 bindingdb
    50582811 bindingdb
    50582812 bindingdb
    50582813 bindingdb
    50622486 bindingdb
    50666229 bindingdb
    50666241 bindingdb
    50666260 bindingdb
    50730605 bindingdb
    50730608 bindingdb
    50731966 bindingdb
    50987300 bindingdb
    The data in this table is sourced from UniChem at EBI.