Dataset

Urea; LC-ESI-IT; MS2; m/z: 121.2; [2M+H]+

This MassBank record with Accession MSBNK-Metabolon-MT000006 contains the MS2 mass spectrum of Urea with the InChIkey XSQUKJJJFZCRTK-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)
SMILES NC(N)=O
InChI Key XSQUKJJJFZCRTK-UHFFFAOYSA-N
Molecular Formula CH4N2O
Exact Mass 60.032 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Metabolon-MT000006
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • urea
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB03904 drugbank
    CHEBI:16199 chebi
    CHEBI:48376 chebi
    URE rcsb_pdb
    CHEMBL985 chembl
    29360205 surechembl
    4441 surechembl
    1176 pubchem
    8W8T17847W fdasrs
    4539 gtopdb
    PD002093 probes_and_drugs
    UREAXX CCDC
    116 brenda
    210639 brenda
    URE pdbe
    HMDB0000294 hmdb
    10016903 nmrshiftdb2
    Molport-000-872-102 molport
    4264 drugcentral
    24961 bindingdb
    The data in this table is sourced from UniChem at EBI.