Dataset

2-(4-Methoxyphenyl)ethylamine; LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 10 V

This MassBank record with Accession MSBNK-MSSJ-MSJ00497 contains the MS2 mass spectrum of 2-(4-Methoxyphenyl)ethylamine with the InChIkey LTPVSOCPYWDIFU-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H13NO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6-7,10H2,1H3
SMILES COC1=CC=C(C=C1)CCN
InChI Key LTPVSOCPYWDIFU-UHFFFAOYSA-N
Molecular Formula C9H13NO
Exact Mass 151.100 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-MSSJ-MSJ00497
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MetadataPublished 2020-12-25
Related Molecule
  • 2-(4-methoxyphenyl)ethanamine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:266039 chebi
    ZHH rcsb_pdb
    CHEMBL101036 chembl
    4634 surechembl
    4657 pubchem
    UCE8P23XWF fdasrs
    PD218086 probes_and_drugs
    91725 brenda
    ZHH - Ideal conformer pdbe
    50240697 bindingdb
    The data in this table is sourced from UniChem at EBI.