Dataset

Fludioxonil; LC-ESI-QFT; MS2; CE: 120%; R=15000; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ00016257 contains the MS2 mass spectrum of Fludioxonil with the InChIkey MUJOIMFVNIBMKC-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H6F2N2O2/c13-12(14)17-10-3-1-2-8(11(10)18-12)9-6-16-5-7(9)4-15/h1-3,5-6,16H
SMILES FC1(F)OC2=CC=CC(=C2O1)C1=CNC=C1C#N
InChI Key MUJOIMFVNIBMKC-UHFFFAOYSA-N
Molecular Formula C12H6F2N2O2
Exact Mass 248.040 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-EQ00016257
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MetadataPublished 2024-06-14
Related Molecule
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    Measurement Technique liquid chromatography-mass spectrometry
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    Data-Source Molecule ID Data-Source
    MCULE-8409821275 Mcule
    DTXSID2032398 EPA CompTox Dashboard
    J727.499H Nikkaji
    HMDB0252328 Human Metabolome Database
    SAHDAI CCDC
    CHEMBL485833 ChEMBL
    C18462 KEGG Ligand
    ZINC000002381595 ZINC
    CB6450780 ChemicalBook
    138695 Brenda
    SCHEMBL22172 SureChEMBL
    86398 PubChem
    PD085604 ProbesDrugs
    14847645 PubChem: Thomson Pharma
    81763 ChEBI
    131341-86-1 ACToR
    ENS9J0YM16 FDA SRS
    510886 eMolecules
    The data in this table is sourced from UniChem at EBI.