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
    478747 eMolecules
    424 PubChem
    23443619 PubChem
    57397078 PubChem
    15321388 PubChem: Thomson Pharma
    617-45-8 ACToR
    56-84-8 ACToR
    PD074298 ProbesDrugs
    SCHEMBL3230 SureChEMBL
    10016965 NMRShiftDB
    MCULE-9328817309 Mcule
    CB7233502 ChemicalBook
    DTXSID30859003 EPA CompTox Dashboard
    92996 Brenda
    105981 Brenda
    16465 Brenda
    137269 Brenda
    28XF4669EP FDA SRS
    DLASPA CCDC
    J1.278E Nikkaji
    MTBLC22660 Metabolights
    22660 ChEBI
    C16433 KEGG Ligand
    The data in this table is sourced from UniChem at EBI.