Dataset

Pyrazophos

This MassBank record with Accession MSBNK-Eawag-EQ01139406 contains the MS2 mass spectrum of Pyrazophos with the InChIkey JOOMJVFZQRQWKR-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C14H20N3O5PS/c1-5-19-14(18)11-9-17-12(15-10(11)4)8-13(16-17)22-23(24,20-6-2)21-7-3/h8-9H,5-7H2,1-4H3
SMILES CCOC(=O)C1=CN2C(=CC(=N2)OP(=S)(OCC)OCC)N=C1C
InChI Key JOOMJVFZQRQWKR-UHFFFAOYSA-N
Molecular Formula C14H20N3O5PS
Exact Mass 373.086 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-EQ01139406
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T14:27:12.750438
MetadataModified 2025-02-09T09:54:35.123163
MetadataPublished 2023-04-27
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1537719 ChEMBL
C18761 KEGG Ligand
CB3397211 ChemicalBook
HMDB0256957 Human Metabolome Database
J1.860K Nikkaji
DTXSID7042352 EPA CompTox Dashboard
81942 ChEBI
ZINC000004866194 ZINC
510171 eMolecules
BEG0A8I17D FDA SRS
SCHEMBL22029 SureChEMBL
16550601 PubChem: Thomson Pharma
26033 PubChem
13457-18-6 ACToR
The data in this table is sourced from UniChem at EBI.