Dataset

Urea; GC-EI-TOF; MS; n TMS; RT:407.982 sec

This MassBank record with Accession MSBNK-Osaka_Univ-OUF00484 contains the MS 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 https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Osaka_Univ-OUF00484
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MetadataPublished 2016-01-19
Related Molecule
  • urea
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    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
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    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
    HMDB0000294 hmdb
    10016903 nmrshiftdb2
    Molport-000-872-102 molport
    4264 drugcentral
    24961 bindingdb
    The data in this table is sourced from UniChem at EBI.