Dataset

1-(4-chloorfenyl)-4,4-dimethyl-3-(1,2,4-tria-zool-1-ylmethyl)-3-pentanol/tebuconazool; LC-ESI-ITFT; MS2; CE: 35 eV; R=nominal; [M+H]+

This MassBank record with Accession MSBNK-KWR-KW101401 contains the MS2 mass spectrum of 1-(4-chloorfenyl)-4,4-dimethyl-3-(1,2,4-tria-zool-1-ylmethyl)-3-pentanol/tebuconazool 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)(CCc1ccc(Cl)cc1)Cn2cncn2
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-KWR-KW101401
Version
Author
Maintainer
Language
MetadataPublished 2017-03-12
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
    No additional information available for this Dataset.