Dataset

Aspartic Acid; LC-ESI-QTOF; MS; NEGATIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80791 contains the MS mass spectrum of Aspartic Acid with the InChIkey CKLJMWTZIZZHCS-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)
SMILES C(C(C(=O)O)N)C(=O)O
InChI Key CKLJMWTZIZZHCS-UHFFFAOYSA-N
Molecular Formula C4H7NO4
Exact Mass 133.038 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-Washington_State_Univ-BML80791
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 2-aminobutanedioic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:22660 chebi
    1459004 surechembl
    3230 surechembl
    23443619 pubchem
    424 pubchem
    57397078 pubchem
    28XF4669EP fdasrs
    3309 gtopdb
    4534 gtopdb
    4698 gtopdb
    6511 gtopdb
    PD074298 probes_and_drugs
    DLASPA CCDC
    105981 brenda
    137269 brenda
    16465 brenda
    92996 brenda
    Molport-001-781-456 molport
    The data in this table is sourced from UniChem at EBI.