Dataset

1-amino-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol; LC-ESI-QTOF; MS2; CE: 24.7 eV; R=30000-60000; [M+H]+

This MassBank record with Accession MSBNK-UvA_IBED-UI000101 contains the MS2 mass spectrum of 1-amino-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol with the InChIkey XJWXVDJGNOHFLR-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H19NO3/c1-15-7-6-10-2-4-12(5-3-10)16-9-11(14)8-13/h2-5,11,14H,6-9,13H2,1H3
SMILES NCC(COC1=CC=C(C=C1)CCOC)O
InChI Key XJWXVDJGNOHFLR-UHFFFAOYSA-N
Molecular Formula C12H19NO3
Exact Mass 225.136 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-UvA_IBED-UI000101
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MetadataPublished 2024-08-27
Related Molecule
  • 1-amino-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL11093561 SureChEMBL
    15093162 PubChem: Thomson Pharma
    10105079 PubChem
    DTXSID30435689 EPA CompTox Dashboard
    J437.460F Nikkaji
    The data in this table is sourced from UniChem at EBI.