Dataset

Carbamoyl-DL-aspartic acid, N-Carbamoylaspartate, N-(aminocarbonyl)-DL-aspartic acid, N-Carbamyl-DL-aspartic acid, Ureidosuccinic acid; LC-ESI-QQ; MS2

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS104802 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 Information

molecular Image
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

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-PS104802
Version
Author
Maintainer
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MetadataPublished 2009-02-09
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    HY-128425 MedChemExpress
    O3Y2KY16L1 FDA SRS
    J2.382.250D Nikkaji
    SCHEMBL22718870 SureChEMBL
    64850 ChEBI
    CB1487192 ChemicalBook
    CHEMBL1161506 ChEMBL
    47951 Brenda
    136355 Brenda
    21640 Brenda
    MTBLC64850 Metabolights
    MCULE-1014975815 Mcule
    SCHEMBL163119 SureChEMBL
    15195089 PubChem: Thomson Pharma
    70111995 NMRShiftDB
    279 PubChem
    PD124032 ProbesDrugs
    533124 eMolecules
    The data in this table is sourced from UniChem at EBI.