Dataset

Iprobenfos

This MassBank record with Accession MSBNK-Eawag-EQ01127402 contains the MS2 mass spectrum of Iprobenfos with the InChIkey FCOAHACKGGIURQ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C13H21O3PS/c1-11(2)15-17(14,16-12(3)4)18-10-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3
SMILES CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1
InChI Key FCOAHACKGGIURQ-UHFFFAOYSA-N
Molecular Formula C13H21O3PS
Exact Mass 288.095 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-EQ01127402
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:51:40.645241
MetadataModified 2025-02-09T10:07:47.022094
MetadataPublished 2023-04-27
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
HY-B1863 MedChemExpress
ZINC000002013176 ZINC
DTXSID7058040 EPA CompTox Dashboard
79737 ChEBI
J1.878C Nikkaji
CB4298968 ChemicalBook
33294 PubChem
CHEMBL388384 ChEMBL
C15230 KEGG Ligand
66091 Brenda
HMDB0031768 Human Metabolome Database
OV3YOE2895 FDA SRS
14824744 PubChem: Thomson Pharma
SCHEMBL22179 SureChEMBL
26087-47-8 ACToR
502043 eMolecules
The data in this table is sourced from UniChem at EBI.