Dataset

Penoxsulam

This MassBank record with Accession MSBNK-Eawag-EQ00410204 contains the MS2 mass spectrum of Penoxsulam with the InChIkey SYJGKVOENHZYMQ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H14F5N5O5S/c1-29-10-6-22-15(30-2)26-13(10)23-14(24-26)25-32(27,28)12-8(16(19,20)21)4-3-5-9(12)31-7-11(17)18/h3-6,11H,7H2,1-2H3,(H,24,25)
SMILES COC1=CN=C(N2C1=NC(=N2)NS(=O)(=O)C3=C(C=CC=C3OCC(F)F)C(F)(F)F)OC
InChI Key SYJGKVOENHZYMQ-UHFFFAOYSA-N
Molecular Formula C16H14F5N5O5S
Exact Mass 483.064 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-EQ00410204
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T09:54:59.459533
MetadataModified 2025-02-09T09:54:59.660126
MetadataPublished 2024-06-14
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL116968 SureChEMBL
16895407 PubChem: Thomson Pharma
219714-96-2 ACToR
784ELC1SCZ FDA SRS
11784975 PubChem
CB7198753 ChemicalBook
PXD PDBe
ZINC000013827750 ZINC
J2.180.042B Nikkaji
NEFTUQ CCDC
HMDB0256242 Human Metabolome Database
247200 Brenda
PENOXSULAM rxnorm
81776 ChEBI
DTXSID0034803 EPA CompTox Dashboard
C18481 KEGG Ligand
CHEMBL1895913 ChEMBL
The data in this table is sourced from UniChem at EBI.