Dataset

N-Acetylglycine; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-

This MassBank record with Accession MSBNK-RIKEN-PR100778 contains the MS2 mass spectrum of N-Acetylglycine 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 117.043 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-RIKEN-PR100778
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 2-acetamidoacetic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB02713 drugbank
    CHEBI:40410 chebi
    AAC rcsb_pdb
    CHEMBL289004 chembl
    5876 surechembl
    10972 pubchem
    U2UT4677KR fdasrs
    PD007697 probes_and_drugs
    ACYGLY CCDC
    13030 brenda
    16119 brenda
    177003 brenda
    229125 brenda
    31336 brenda
    5189 brenda
    92256 brenda
    AAC - Ideal conformer pdbe
    HMDB0000532 hmdb
    Molport-000-894-307 molport
    82197 bindingdb
    The data in this table is sourced from UniChem at EBI.