Dataset

4-Aminobutanoic acid; LC-ESI-ITFT; MS; POS

This MassBank record with Accession MSBNK-NAIST-KNA00316 contains the MS mass spectrum of 4-Aminobutanoic acid with the InChIkey BTCSSZJGUNDROE-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
SMILES NCCCC(O)=O
InChI Key BTCSSZJGUNDROE-UHFFFAOYSA-N
Molecular Formula C4H9NO2
Exact Mass 103.063 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-NAIST-KNA00316
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 4-aminobutanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    10008874 NMRShiftDB
    MCULE-7613134021 Mcule
    SCHEMBL4878 SureChEMBL
    49801 Brenda
    59888 Rhea
    CB3184042 ChemicalBook
    HMDB0000112 Human Metabolome Database
    5152 Brenda
    142818 Brenda
    597 Brenda
    49075 Brenda
    7196 Brenda
    35330 Brenda
    6447 Brenda
    91638 Brenda
    MTBLC59888 Metabolights
    3131-86-0 ACToR
    PD002827 ProbesDrugs
    28805-76-7 ACToR
    20-79-1 ACToR
    6992099 PubChem
    56-12-2 ACToR
    4abut Recon
    14818111 PubChem: Thomson Pharma
    2ACZ6IPC6I FDA SRS
    119 PubChem
    476623 eMolecules
    16865 ChEBI
    1067 Guide to Pharmacology
    ABU PDBe
    C00334 KEGG Ligand
    DB02530 DrugBank
    59888 ChEBI
    CHEMBL96 ChEMBL
    GAMMA-AMINOBUTYRIC ACID clinicaltrials
    .GAMMA.-AMINOBUTYRIC ACID clinicaltrials
    HY-N0067 MedChemExpress
    DTXSID6035106 EPA CompTox Dashboard
    LMFA01100039 LipidMaps
    GAMBUT CCDC
    1262 DrugCentral
    ZINC000001532620 ZINC
    5410 Guide to Pharmacology
    J1.375G Nikkaji
    AMINOBUTYRATE rxnorm
    24183 BindingDB
    GAMMA-AMINOBUTYRATE rxnorm
    AMINOBUTYRIC ACID rxnorm
    GAMMA-AMINOBUTYRIC ACID rxnorm
    69398 Brenda
    MTBLC16865 Metabolights
    2011 Brenda
    The data in this table is sourced from UniChem at EBI.