Dataset

N-Acetyl-L-glutamic acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

This MassBank record with Accession MSBNK-Keio_Univ-KO002083 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-KO002083
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
    70914 PubChem
    MA61H539YZ FDA SRS
    PD001625 ProbesDrugs
    16179229 PubChem: Thomson Pharma
    474735 eMolecules
    103258 Brenda
    3794 Brenda
    48784 Brenda
    543 Brenda
    125564 Brenda
    32923 Brenda
    20096 Brenda
    92180 Brenda
    33014 Brenda
    47376 Brenda
    109769 Brenda
    CB6175759 ChemicalBook
    MTBLC17533 Metabolights
    3480 Brenda
    20782 Brenda
    MCULE-6828522418 Mcule
    20112345 NMRShiftDB
    SCHEMBL82128 SureChEMBL
    MCULE-7234857249 Mcule
    DTXSID3046534 EPA CompTox Dashboard
    ZINC000001532704 ZINC
    J37.497K Nikkaji
    HMDB0001138 Human Metabolome Database
    TERRUD CCDC
    ACETYL GLUTAMIC ACID rxnorm
    HY-W015240 MedChemExpress
    50151383 BindingDB
    NLG PDBe
    17533 ChEBI
    CHEMBL1234751 ChEMBL
    C00624 KEGG Ligand
    DB04075 DrugBank
    The data in this table is sourced from UniChem at EBI.