Dataset

N-Acetyl-L-glutamic acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+

This MassBank record with Accession MSBNK-Keio_Univ-KO002087 contains the MS2 mass spectrum of N-Acetyl-L-glutamic acid with the InChIkey RFMMMVDNIPUKGG-YFKPBYRVSA-N.

Chemical Information

molecular Image
Synonyms
N-Acetylglutamate
N-Acetyl-L-glutamate
N-Acetyl-L-glutamic acid
InChI InChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t5-/m0/s1
SMILES CC(=O)NC(CCC(O)=O)C(O)=O
InChI Key RFMMMVDNIPUKGG-YFKPBYRVSA-N
Molecular Formula C7H11NO5
Exact Mass 189.064 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Keio_Univ-KO002087
Version
Author
Maintainer
Language english
MetadataPublished 2016-01-19
Related Molecule
  • (2S)-2-acetamidopentanedioic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB04075 drugbank
    CHEBI:17533 chebi
    NLG rcsb_pdb
    CHEMBL1234751 chembl
    82128 surechembl
    70914 pubchem
    MA61H539YZ fdasrs
    PD001625 probes_and_drugs
    TERRUD CCDC
    103258 brenda
    109769 brenda
    125564 brenda
    180689 brenda
    182157 brenda
    188238 brenda
    20096 brenda
    20782 brenda
    32923 brenda
    33014 brenda
    3480 brenda
    3794 brenda
    47376 brenda
    48784 brenda
    543 brenda
    92180 brenda
    HMDB0001138 hmdb
    Molport-003-666-323 molport
    50151383 bindingdb
    The data in this table is sourced from UniChem at EBI.