Dataset

Myclobutanil; LC-ESI-QFT; MS2; CE: 90%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ00295706 contains the MS2 mass spectrum of Myclobutanil with the InChIkey HZJKXKUJVSEEFU-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3
SMILES CCCCC(CN1C=NC=N1)(C#N)C1=CC=C(Cl)C=C1
InChI Key HZJKXKUJVSEEFU-UHFFFAOYSA-N
Molecular Formula C15H17ClN4
Exact Mass 288.114 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-EQ00295706
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MetadataPublished 2024-06-14
Related Molecule
  • 2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:83729 chebi
    CHEMBL1904430 chembl
    21809 surechembl
    6336 pubchem
    B6T1JTM6KZ fdasrs
    PD000134 probes_and_drugs
    24381 brenda
    HMDB0243541 hmdb
    Molport-003-930-648 molport
    The data in this table is sourced from UniChem at EBI.