Dataset

Amphetamine; LC-ESI-ITFT; MS2; CE: 35%; R=7500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EA282201 contains the MS2 mass spectrum of Amphetamine with the InChIkey KWTSXDURSIMDCE-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
SMILES c1(ccccc1)CC(N)C
InChI Key KWTSXDURSIMDCE-UHFFFAOYSA-N
Molecular Formula C9H13N
Exact Mass 135.105 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EA282201
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MetadataPublished 2014-01-14
Related Molecule
  • 1-phenylpropan-2-amine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00182 drugbank
    CHEBI:132233 chebi
    CHEMBL405 chembl
    8858 surechembl
    3007 pubchem
    CK833KGX7E fdasrs
    2146 gtopdb
    2147 gtopdb
    4804 gtopdb
    PD010185 probes_and_drugs
    23090 brenda
    259092 brenda
    39740 brenda
    5131 brenda
    HMDB0014328 hmdb
    195 drugcentral
    50005246 bindingdb
    The data in this table is sourced from UniChem at EBI.