Dataset

METHYL4-AMINOBUTYRATE; LC-ESI-QTOF; MS2; CE: 20eV; R=5000; [M+H]+

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_P101702_EF88 contains the MS2 mass spectrum of METHYL4-AMINOBUTYRATE with the InChIkey KVQGGLZHHFGHPU-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C5H11NO2/c1-8-5(7)3-2-4-6/h2-4,6H2,1H3
SMILES COC(CCCN)=O
InChI Key KVQGGLZHHFGHPU-UHFFFAOYSA-N
Molecular Formula C5H11NO2
Exact Mass 117.079 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-Antwerp_Univ-METOX_P101702_EF88
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MetadataPublished 2021-12-14
Related Molecule
  • methyl 4-aminobutanoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:42955 chebi
    GVE rcsb_pdb
    380579 surechembl
    18614 pubchem
    PD124082 probes_and_drugs
    120677 brenda
    GVE pdbe
    DTXSID10954242 comptox
    Molport-001-792-890 molport
    The data in this table is sourced from UniChem at EBI.