Dataset

Butafenacil

This MassBank record with Accession MSBNK-Waters-WA000139 contains the MS2 mass spectrum of Butafenacil with the InChIkey JEDYYFXHPAIBGR-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H18ClF3N2O6/c1-5-8-31-17(29)19(2,3)32-16(28)12-9-11(6-7-13(12)21)26-15(27)10-14(20(22,23)24)25(4)18(26)30/h5-7,9-10H,1,8H2,2-4H3
SMILES C=CCOC(=O)C(C)(C)OC(=O)c(c(Cl)2)cc(cc2)N(C(=O)1)C(=O)N(C)C(=C1)C(F)(F)F
InChI Key JEDYYFXHPAIBGR-UHFFFAOYSA-N
Molecular Formula C20H18ClF3N2O6
Exact Mass 474.081 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000139
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:33:23.855717
MetadataModified 2025-02-09T20:21:33.048444
MetadataPublished 2016-01-19
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1867342 ChEMBL
J1.647.113E Nikkaji
DTXSID9034365 EPA CompTox Dashboard
YOCYEX CCDC
143863 ChEBI
CB4304674 ChemicalBook
DB15261 DrugBank
134605-64-4 ACToR
7Z141CCP2R FDA SRS
PD121984 ProbesDrugs
16943558 PubChem: Thomson Pharma
31216810 eMolecules
143698 Brenda
ZINC000002563961 ZINC
11826859 PubChem
SCHEMBL39148 SureChEMBL
The data in this table is sourced from UniChem at EBI.