Dataset

Fenoxycarb

This MassBank record with Accession MSBNK-Waters-WA000122 contains the MS2 mass spectrum of Fenoxycarb with the InChIkey HJUFTIJOISQSKQ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19)
SMILES CCOC(=O)NCCOc(c2)ccc(c2)Oc(c1)cccc1
InChI Key HJUFTIJOISQSKQ-UHFFFAOYSA-N
Molecular Formula C17H19NO4
Exact Mass 301.131 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-WA000122
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:30:36.831227
MetadataModified 2025-02-09T20:21:38.898179
MetadataPublished 2016-01-19
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
51605 PubChem
PD085437 ProbesDrugs
JEN0LSV1G9 FDA SRS
72490-01-8 ACToR
15072921 PubChem: Thomson Pharma
499794 eMolecules
SCHEMBL27336 SureChEMBL
20208479 NMRShiftDB
CHEMBL15780 ChEMBL
5009 ChEBI
C11078 KEGG Ligand
ZINC000001532145 ZINC
HMDB0252212 Human Metabolome Database
CEFPEK CCDC
J296.319A Nikkaji
DTXSID7032393 EPA CompTox Dashboard
CB4351012 ChemicalBook
CB1875656 ChemicalBook
The data in this table is sourced from UniChem at EBI.