Dataset

Picoxystrobin

This MassBank record with Accession MSBNK-Athens_Univ-AU258401 contains the MS2 mass spectrum of Picoxystrobin with the InChIkey IBSNKSODLGJUMQ-SDNWHVSQSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H16F3NO4/c1-24-11-14(17(23)25-2)13-7-4-3-6-12(13)10-26-16-9-5-8-15(22-16)18(19,20)21/h3-9,11H,10H2,1-2H3/b14-11+
SMILES CO\C=C(\C(=O)OC)C1=CC=CC=C1COC1=CC=CC(=N1)C(F)(F)F
InChI Key IBSNKSODLGJUMQ-SDNWHVSQSA-N
Molecular Formula C18H16F3NO4
Exact Mass 367.103 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU258401
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:45:31.442127
MetadataModified 2025-02-08T19:04:16.171580
MetadataPublished 2019-05-29
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL522759 ChEMBL
HY-136355 MedChemExpress
252968 Brenda
J1.596.744G Nikkaji
DTXSID9047542 EPA CompTox Dashboard
11285653 PubChem
ZINC000034872909 ZINC
PD157625 ProbesDrugs
62DH7GEL1P FDA SRS
16625479 PubChem: Thomson Pharma
117428-22-5 ACToR
83197 ChEBI
SCHEMBL18977 SureChEMBL
CB7343458 ChemicalBook
The data in this table is sourced from UniChem at EBI.