Dataset

4-Methoxyamphetamine; LC-ESI-Q; MS; POS; 90 V

This MassBank record with Accession MSBNK-Waters-WA002861 contains the MS mass spectrum of 4-Methoxyamphetamine with the InChIkey NEGYEDYHPHMHGK-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H15NO/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6,8H,7,11H2,1-2H3
SMILES COc(c1)ccc(CC(C)N)c1
InChI Key NEGYEDYHPHMHGK-UHFFFAOYSA-N
Molecular Formula C10H15NO
Exact Mass 165.115 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-WA002861
Version
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 1-(4-methoxyphenyl)propan-2-amine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    38543 Brenda
    39741 Brenda
    SCHEMBL264634 SureChEMBL
    31721 PubChem
    60027263 NMRShiftDB
    15194941 PubChem: Thomson Pharma
    23239-32-9 ACToR
    64-13-1 ACToR
    PD008842 ProbesDrugs
    50024209 BindingDB
    OVB8F8P39Q FDA SRS
    HMDB0246494 Human Metabolome Database
    DTXSID7040578 EPA CompTox Dashboard
    J213.549C Nikkaji
    MCULE-9604730500 Mcule
    977554 eMolecules
    CHEMBL278663 ChEMBL
    DB01472 DrugBank
    The data in this table is sourced from UniChem at EBI.