Dataset

Mefentrifluconazole

This MassBank record with Accession MSBNK-Eawag-EQ01127905 contains the MS2 mass spectrum of Mefentrifluconazole with the InChIkey JERZEQUMJNCPRJ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H15ClF3N3O2/c1-17(26,9-25-11-23-10-24-25)15-7-6-14(8-16(15)18(20,21)22)27-13-4-2-12(19)3-5-13/h2-8,10-11,26H,9H2,1H3
SMILES CC(CN1C=NC=N1)(C2=C(C=C(C=C2)OC3=CC=C(C=C3)Cl)C(F)(F)F)O
InChI Key JERZEQUMJNCPRJ-UHFFFAOYSA-N
Molecular Formula C18H15ClF3N3O2
Exact Mass 397.080 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-EQ01127905
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:33:56.408805
MetadataModified 2025-02-09T09:47:09.371131
MetadataPublished 2023-04-27
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
71230671 PubChem
J3.617.443I Nikkaji
144539 ChEBI
HY-136063 MedChemExpress
D9EYN9N7UI FDA SRS
DTXSID40894945 EPA CompTox Dashboard
CB64745567 ChemicalBook
PD157602 ProbesDrugs
SCHEMBL14645411 SureChEMBL
The data in this table is sourced from UniChem at EBI.