Dataset

Pyrifluquinazon; LC-ESI-QFT; MS2; CE: 120%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01126907 contains the MS2 mass spectrum of Pyrifluquinazon with the InChIkey MIOBBYRMXGNORL-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H15F7N4O2/c1-11(31)30-15-5-4-14(17(20,18(21,22)23)19(24,25)26)7-13(15)10-29(16(30)32)28-9-12-3-2-6-27-8-12/h2-8,28H,9-10H2,1H3
SMILES CC(=O)N1C2=C(CN(C1=O)NCC3=CN=CC=C3)C=C(C=C2)C(C(F)(F)F)(C(F)(F)F)F
InChI Key MIOBBYRMXGNORL-UHFFFAOYSA-N
Molecular Formula C19H15F7N4O2
Exact Mass 464.108 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01126907
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MetadataPublished 2023-04-27
Related Molecule
  • 1-acetyl-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(pyridin-3-ylmethylamino)-4H-quinazolin-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    142784 ChEBI
    49656355 PubChem: Thomson Pharma
    ZINC000036471003 ZINC
    CB32616949 ChemicalBook
    DTXSID6058057 EPA CompTox Dashboard
    J2.185.061F Nikkaji
    11842644 PubChem
    KKS8BX5SNW FDA SRS
    337458-27-2 ACToR
    SCHEMBL119076 SureChEMBL
    The data in this table is sourced from UniChem at EBI.