Dataset

Fluroxypyr

This MassBank record with Accession MSBNK-Waters-WA000245 contains the MS2 mass spectrum of Fluroxypyr with the InChIkey MEFQWPUMEMWTJP-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C7H5Cl2FN2O3/c8-3-5(11)4(9)7(12-6(3)10)15-1-2(13)14/h1H2,(H2,11,12)(H,13,14)
SMILES OC(=O)COc(n1)c(Cl)c(N)c(Cl)c(F)1
InChI Key MEFQWPUMEMWTJP-UHFFFAOYSA-N
Molecular Formula C7H5Cl2FN2O3
Exact Mass 253.966 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-WA000245
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:49:24.921031
MetadataModified 2024-01-11T22:49:25.074948
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
15196857 PubChem: Thomson Pharma
SCHEMBL23545 SureChEMBL
8O40SHO197 FDA SRS
69377-81-7 ACToR
CB8389671 ChemicalBook
ZINC000005178425 ZINC
50465 PubChem
C18858 KEGG Ligand
CHEMBL1895005 ChEMBL
DTXSID2034627 EPA CompTox Dashboard
82017 ChEBI
EZONOY CCDC
145798125 PubChem
J372.922B Nikkaji
The data in this table is sourced from UniChem at EBI.