Dataset

Quinalphos

This MassBank record with Accession MSBNK-Eawag-EQ01139603 contains the MS2 mass spectrum of Quinalphos with the InChIkey JYQUHIFYBATCCY-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H15N2O3PS/c1-3-15-18(19,16-4-2)17-12-9-13-10-7-5-6-8-11(10)14-12/h5-9H,3-4H2,1-2H3
SMILES CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1
InChI Key JYQUHIFYBATCCY-UHFFFAOYSA-N
Molecular Formula C12H15N2O3PS
Exact Mass 298.054 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-EQ01139603
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T14:36:55.063054
MetadataModified 2025-02-09T10:09:06.117512
MetadataPublished 2023-04-27
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J8.128K Nikkaji
HMDB0257033 Human Metabolome Database
DTXSID7024291 EPA CompTox Dashboard
CB9227349 ChemicalBook
8712 ChEBI
CHEMBL1893890 ChEMBL
C11030 KEGG Ligand
ZINC000000900717 ZINC
20208952 NMRShiftDB
SCHEMBL18079 SureChEMBL
15023155 PubChem: Thomson Pharma
26124 PubChem
26S837727Y FDA SRS
13593-03-8 ACToR
WYN PDBe
510179 eMolecules
The data in this table is sourced from UniChem at EBI.