Dataset

Pyraclostrobin

This MassBank record with Accession MSBNK-AGILENT-AG000023 contains the MS2 mass spectrum of Pyraclostrobin with the InChIkey HZRSNVGNWUDEFX-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C19H18ClN3O4/c1-25-19(24)23(26-2)17-6-4-3-5-14(17)13-27-18-11-12-22(21-18)16-9-7-15(20)8-10-16/h3-12H,13H2,1-2H3
SMILES CON(C(=O)OC)C1=CC=CC=C1COC1C=CN(N=1)C1C=CC(Cl)=CC=1
InChI Key HZRSNVGNWUDEFX-UHFFFAOYSA-N
Molecular Formula C19H18ClN3O4
Exact Mass 387.099 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AGILENT-AG000023
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:29:07.493525
MetadataModified 2024-01-11T09:29:07.650486
MetadataPublished 2023-02-17
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
31216816 eMolecules
CHEMBL519873 ChEMBL
252964 Brenda
HMDB0256940 Human Metabolome Database
BACXIQ CCDC
SCHEMBL18441 SureChEMBL
78780 ChEBI
J1.571.715G Nikkaji
6422843 PubChem
PD158116 ProbesDrugs
16453652 PubChem: Thomson Pharma
175013-18-0 ACToR
DJW8M9OX1H FDA SRS
50487137 BindingDB
HY-N6626 MedChemExpress
DTXSID7032638 EPA CompTox Dashboard
ZINC000002511853 ZINC
CB3430682 ChemicalBook
The data in this table is sourced from UniChem at EBI.