Dataset

N-ACETYLGLUTAMATE

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_P101603_EF88 contains the MS2 mass spectrum of N-ACETYLGLUTAMATE with the InChIkey RFMMMVDNIPUKGG-UHFFFAOYSA-N.

Chemical Info

molecular Image
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)
SMILES CC(=O)NC(CCC(O)=O)C(O)=O
InChI Key RFMMMVDNIPUKGG-UHFFFAOYSA-N
Molecular Formula C7H11NO5
Exact Mass 189.064 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_P101603_EF88
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:33:19.251288
MetadataModified 2024-01-11T09:33:19.414040
MetadataPublished 2021-12-14
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
185 PubChem
MCULE-4246221126 Mcule
SCHEMBL198970 SureChEMBL
534720 eMolecules
15120768 PubChem: Thomson Pharma
CHEMBL2142890 ChEMBL
1188-37-0 ACToR
5817-08-3 ACToR
PD014523 ProbesDrugs
92223 Brenda
DEANOL rxnorm
172431 ChEBI
132654 Brenda
CB6703213 ChemicalBook
The data in this table is sourced from UniChem at EBI.