Dataset

N-Formylaspartic acid

This MassBank record with Accession MSBNK-Keio_Univ-KO000778 contains the MS2 mass spectrum of N-Formylaspartic acid with the InChIkey MQUUQXIFCBBFDP-VKHMYHEASA-N.

Chemical Info

molecular Image
InChI InChI=1S/C5H7NO5/c7-2-6-3(5(10)11)1-4(8)9/h2-3H,1H2,(H,6,7)(H,8,9)(H,10,11)/t3-/m0/s1
SMILES O=CN[C@@H](CC(O)=O)C(O)=O
InChI Key MQUUQXIFCBBFDP-VKHMYHEASA-N
Molecular Formula C5H7NO5
Exact Mass 161.032 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-KO000778
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T17:26:19.721614
MetadataModified 2025-02-09T14:33:14.311153
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
C01044 KEGG Ligand
48429 ChEBI
J242.809A Nikkaji
8294011 eMolecules
15066503 PubChem: Thomson Pharma
19427-28-2 ACToR
60027887 NMRShiftDB
88052 PubChem
SCHEMBL6746101 SureChEMBL
HMDB0060495 Human Metabolome Database
CB5735956 ChemicalBook
4544 Brenda
106693 Brenda
106715 Brenda
106714 Brenda
ZINC000000895470 ZINC
MTBLC48429 Metabolights
The data in this table is sourced from UniChem at EBI.