Dataset

Pyrimidinol; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UF419504 contains the MS2 mass spectrum of Pyrimidinol with the InChIkey AJPIUNPJBFBUKK-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H12N2O/c1-5(2)8-9-6(3)4-7(11)10-8/h4-5H,1-3H3,(H,9,10,11)
SMILES CC(C)C1=NC(O)=CC(C)=N1
InChI Key AJPIUNPJBFBUKK-UHFFFAOYSA-N
Molecular Formula C8H12N2O
Exact Mass 152.095 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UF419504
Version
Author
Maintainer
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MetadataPublished 2017-01-05
Related Molecule
  • 6-methyl-2-propan-2-yl-1H-pyrimidin-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:38629 chebi
    CHEBI:83445 chebi
    CHEMBL3183282 chembl
    11548127 surechembl
    190354 surechembl
    30228949 surechembl
    3030918 surechembl
    135444498 pubchem
    0JET159MZQ fdasrs
    SABKIR CCDC
    130887 brenda
    233379 brenda
    59538 brenda
    HMDB0245733 hmdb
    Molport-002-894-208 molport
    Molport-004-285-283 molport
    Molport-008-010-381 molport
    The data in this table is sourced from UniChem at EBI.