Dataset

beta-Alanine; GC-EI-TOF; MS; 3 TMS; BP:174

This MassBank record with Accession MSBNK-Kazusa-KZ000082 contains the MS mass spectrum of beta-Alanine with the InChIkey UCMIRNVEIXFBKS-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)
SMILES NCCC(O)=O
InChI Key UCMIRNVEIXFBKS-UHFFFAOYSA-N
Molecular Formula C3H7NO2
Exact Mass 89.048 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Kazusa-KZ000082
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 3-aminopropanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB03107 drugbank
    CHEBI:16958 chebi
    CHEBI:57966 chebi
    BAL rcsb_pdb
    CHEMBL297569 chembl
    21500 surechembl
    239 pubchem
    4755801 pubchem
    11P2JDE17B fdasrs
    2365 gtopdb
    PD007378 probes_and_drugs
    BALNIN CCDC
    1199 brenda
    145296 brenda
    16830 brenda
    182618 brenda
    203114 brenda
    207597 brenda
    494 brenda
    92730 brenda
    HMDB0000056 hmdb
    Molport-001-641-009 molport
    50000102 bindingdb
    The data in this table is sourced from UniChem at EBI.