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 Info

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
MetadataCreated 2024-01-11T17:27:38.187803
MetadataModified 2025-02-09T13:48:17.354556
MetadataPublished 2016-01-19
Related Molecule
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.