Dataset

Trifloxystrobin

This MassBank record with Accession MSBNK-Athens_Univ-AU371402 contains the MS2 mass spectrum of Trifloxystrobin with the InChIkey ONCZDRURRATYFI-QTCHDTBASA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H19F3N2O4/c1-13(14-8-6-9-16(11-14)20(21,22)23)24-29-12-15-7-4-5-10-17(15)18(25-28-3)19(26)27-2/h4-11H,12H2,1-3H3/b24-13+,25-18-
SMILES CO\N=C(/C(=O)OC)C1=C(CO\N=C(/C)C2=CC(=CC=C2)C(F)(F)F)C=CC=C1
InChI Key ONCZDRURRATYFI-QTCHDTBASA-N
Molecular Formula C20H19F3N2O4
Exact Mass 408.130 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-Athens_Univ-AU371402
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:42:45.243090
MetadataModified 2024-01-11T09:42:45.398225
MetadataPublished 2015-12-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
PD061230 ProbesDrugs
F625Z36B2D FDA SRS
16662800 PubChem: Thomson Pharma
9578570 PubChem
SCHEMBL2321633 SureChEMBL
J1.067.654A Nikkaji
FOHROK CCDC
CHEMBL3637899 ChEMBL
ZINC000031572967 ZINC
J2.223.914G Nikkaji
The data in this table is sourced from UniChem at EBI.