Dataset

Prothioconazole; LC-ESI-QFT; MS2; CE: 75%; R=15000; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ00381355 contains the MS2 mass spectrum of Prothioconazole with the InChIkey MNHVNIJQQRJYDH-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H15Cl2N3OS/c15-11-4-2-1-3-10(11)7-14(20,13(16)5-6-13)8-19-12(21)17-9-18-19/h1-4,9,20H,5-8H2,(H,17,18,21)
SMILES C1CC1(C(CC2=CC=CC=C2Cl)(CN3C(=S)N=CN3)O)Cl
InChI Key MNHVNIJQQRJYDH-UHFFFAOYSA-N
Molecular Formula C14H15Cl2N3OS
Exact Mass 343.031 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-EQ00381355
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MetadataPublished 2024-06-14
Related Molecule
  • 2-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1H-1,2,4-triazole-3-thione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:84008 chebi
    CHEMBL2251446 chembl
    21497 surechembl
    29376852 surechembl
    29511877 surechembl
    471126 surechembl
    571160 surechembl
    6451142 pubchem
    27B9FV58IY fdasrs
    PD209467 probes_and_drugs
    YEDNAX CCDC
    135242 brenda
    252974 brenda
    Molport-016-581-805 molport
    Molport-047-917-747 molport
    The data in this table is sourced from UniChem at EBI.