Dataset

Carbamoyl-DL-aspartic acid, N-Carbamoylaspartate, N-(aminocarbonyl)-DL-aspartic acid, N-Carbamyl-DL-aspartic acid, Ureidosuccinic acid

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS104808 contains the MS2 mass spectrum of Carbamoyl-DL-aspartic acid, N-Carbamoylaspartate, N-(aminocarbonyl)-DL-aspartic acid, N-Carbamyl-DL-aspartic acid, Ureidosuccinic acid with the InChIkey HLKXYZVTANABHZ-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C5H8N2O5/c6-5(12)7-2(4(10)11)1-3(8)9/h2H,1H2,(H,8,9)(H,10,11)(H3,6,7,12)
SMILES	C(C(C(=O)O)NC(=O)N)C(=O)O
InChI Key	HLKXYZVTANABHZ-UHFFFAOYSA-N
Molecular Formula	C5H8N2O5
Exact Mass	176.128 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PS104808
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T21:07:31.520498
MetadataModified	2024-01-11T21:07:31.673086
MetadataPublished	2009-02-09

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL1161506	ChEMBL
533124	eMolecules
SCHEMBL22718870	SureChEMBL
J2.382.250D	Nikkaji
O3Y2KY16L1	FDA SRS
HY-128425	MedChemExpress
64850	ChEBI
MTBLC64850	Metabolights
136355	Brenda
21640	Brenda
47951	Brenda
CB1487192	ChemicalBook
279	PubChem
PD124032	ProbesDrugs
70111995	NMRShiftDB
15195089	PubChem: Thomson Pharma
MCULE-1014975815	Mcule
SCHEMBL163119	SureChEMBL
The data in this table is sourced from UniChem at EBI.