Dataset

N-Acetylglycine, Aceturic acid, Acetaminoacetic Acid, Ac-Gly, 2-(Acetylamino)ethanoic Acid, 2-acetamidoacetic acid, Ethanoylaminoethanoic acid, Acetylglycocoll, Acetamidoacetic acid; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PT207870 contains the MS2 mass spectrum of N-Acetylglycine, Aceturic acid, Acetaminoacetic Acid, Ac-Gly, 2-(Acetylamino)ethanoic Acid, 2-acetamidoacetic acid, Ethanoylaminoethanoic acid, Acetylglycocoll, Acetamidoacetic acid with the InChIkey OKJIRPAQVSHGFK-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C4H7NO3/c1-3(6)5-2-4(7)8/h2H2,1H3,(H,5,6)(H,7,8)
SMILES CC(=O)NCC(=O)O
InChI Key OKJIRPAQVSHGFK-UHFFFAOYSA-N
Molecular Formula C4H7NO3
Exact Mass 117.104 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PT207870
Version
Author
Maintainer
Language
MetadataPublished 2008-07-28
Related Molecule
  • 2-acetamidoacetic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    10972 PubChem
    14940495 PubChem: Thomson Pharma
    U2UT4677KR FDA SRS
    543-24-8 ACToR
    PD007697 ProbesDrugs
    474739 eMolecules
    31336 Brenda
    92256 Brenda
    5189 Brenda
    MTBLC40410 Metabolights
    16119 Brenda
    HMDB0000532 Human Metabolome Database
    CB2488439 ChemicalBook
    13030 Brenda
    MCULE-5811325186 Mcule
    SCHEMBL5876 SureChEMBL
    ACYGLY CCDC
    J2.645J Nikkaji
    ZINC000001683660 ZINC
    DTXSID2043793 EPA CompTox Dashboard
    229125 Brenda
    HY-Y0069 MedChemExpress
    82197 BindingDB
    10016977 NMRShiftDB
    DB02713 DrugBank
    CHEMBL289004 ChEMBL
    40410 ChEBI
    AAC PDBe
    The data in this table is sourced from UniChem at EBI.