Dataset

Clodinafop-propargyl

This MassBank record with Accession MSBNK-Eawag-EQ00354504 contains the MS2 mass spectrum of Clodinafop-propargyl with the InChIkey JBDHZKLJNAIJNC-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C17H13ClFNO4/c1-3-8-22-17(21)11(2)23-13-4-6-14(7-5-13)24-16-15(19)9-12(18)10-20-16/h1,4-7,9-11H,8H2,2H3
SMILES CC(C(=O)OCC#C)OC1=CC=C(C=C1)OC2=NC=C(C=C2F)Cl
InChI Key JBDHZKLJNAIJNC-UHFFFAOYSA-N
Molecular Formula C17H13ClFNO4
Exact Mass 349.052 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-EQ00354504
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T09:29:19.731495
MetadataModified 2025-02-09T09:29:19.894308
MetadataPublished 2024-06-14
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
BY3NXH6SAL FDA SRS
DTXSID4091528 EPA CompTox Dashboard
HMDB0244318 Human Metabolome Database
6916151 PubChem
PD157646 ProbesDrugs
SCHEMBL63886 SureChEMBL
105511-96-4 ACToR
129349 Brenda
The data in this table is sourced from UniChem at EBI.