Dataset

2-Isopropyl-6-methyl-pyrimidin-4-ol; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU287004 contains the MS2 mass spectrum of 2-Isopropyl-6-methyl-pyrimidin-4-ol 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(C)=CC(=O)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-Athens_Univ-AU287004
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Author
Maintainer
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MetadataPublished 2019-05-31
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
    16129918 PubChem: Thomson Pharma
    70094237 NMRShiftDB
    83445 ChEBI
    16858-17-6 ACToR
    2814-20-2 ACToR
    SCHEMBL190354 SureChEMBL
    33419224 eMolecules
    502515 eMolecules
    ZINC000008816069 ZINC
    MTBLC38629 Metabolights
    MTBLC83445 Metabolights
    59538 Brenda
    0JET159MZQ FDA SRS
    MCULE-4922392122 Mcule
    DTXSID1027502 EPA CompTox Dashboard
    SABKIR CCDC
    J13.007I Nikkaji
    233379 Brenda
    HMDB0245733 Human Metabolome Database
    38629 ChEBI
    CB6760735 ChemicalBook
    130887 Brenda
    CHEMBL3183282 ChEMBL
    135444498 PubChem
    The data in this table is sourced from UniChem at EBI.