Dataset

Tebuconazol; LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UF404302 contains the MS2 mass spectrum of Tebuconazol with the InChIkey PXMNMQRDXWABCY-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3
SMILES CC(C)(C)C(O)(CCC1=CC=C(Cl)C=C1)CN1C=NC=N1
InChI Key PXMNMQRDXWABCY-UHFFFAOYSA-N
Molecular Formula C16H22ClN3O
Exact Mass 307.145 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UF404302
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MetadataPublished 2017-01-05
Related Molecule
  • 1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:83779 chebi
    CHEMBL487186 chembl
    21789 surechembl
    86102 pubchem
    401ATW8TRW fdasrs
    PD077301 probes_and_drugs
    9974 brenda
    HMDB0258762 hmdb
    Molport-001-812-071 molport
    50486193 bindingdb
    The data in this table is sourced from UniChem at EBI.