Dataset

Haloxyfop

This MassBank record with Accession MSBNK-Waters-WA000238 contains the MS2 mass spectrum of Haloxyfop with the InChIkey GOCUAJYOYBLQRH-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H11ClF3NO4/c1-8(14(21)22)23-10-2-4-11(5-3-10)24-13-12(16)6-9(7-20-13)15(17,18)19/h2-8H,1H3,(H,21,22)
SMILES OC(=O)C(C)Oc(c2)ccc(c2)Oc(n1)c(Cl)cc(c1)C(F)(F)F
InChI Key GOCUAJYOYBLQRH-UHFFFAOYSA-N
Molecular Formula C15H11ClF3NO4
Exact Mass 361.033 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-WA000238
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:47:05.229067
MetadataModified 2025-02-09T20:22:49.025386
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
50895 PubChem
PD036656 ProbesDrugs
14803496 PubChem: Thomson Pharma
69806-34-4 ACToR
SCHEMBL33627 SureChEMBL
510485 eMolecules
136694 ChEBI
2658 Brenda
103793 Brenda
24566 Brenda
CHEMBL223593 ChEMBL
C04871 KEGG Ligand
J367.068F Nikkaji
24TYO6H90H FDA SRS
DTXSID7042019 EPA CompTox Dashboard
HY-B1856 MedChemExpress
HMDB0253047 Human Metabolome Database
CB1118535 ChemicalBook
The data in this table is sourced from UniChem at EBI.