Dataset

Nuarimol; LC-ESI-QFT; MS2; CE: 30%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01128602 contains the MS2 mass spectrum of Nuarimol with the InChIkey SAPGTCDSBGMXCD-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H12ClFN2O/c18-16-4-2-1-3-15(16)17(22,13-9-20-11-21-10-13)12-5-7-14(19)8-6-12/h1-11,22H
SMILES C1=CC=C(C(=C1)C(C2=CC=C(C=C2)F)(C3=CN=CN=C3)O)Cl
InChI Key SAPGTCDSBGMXCD-UHFFFAOYSA-N
Molecular Formula C17H12ClFN2O
Exact Mass 314.062 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-Eawag-EQ01128602
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MetadataPublished 2023-04-27
Related Molecule
  • (2-chlorophenyl)-(4-fluorophenyl)-pyrimidin-5-ylmethanol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1863087 chembl
    20691 surechembl
    29484440 surechembl
    91683 pubchem
    127075 brenda
    ZU7K80U0CY fdasrs
    Molport-003-930-923 molport
    The data in this table is sourced from UniChem at EBI.