Dataset

Quizalofop-p-tefuryl

This MassBank record with Accession MSBNK-Waters-WA000041 contains the MS2 mass spectrum of Quizalofop-p-tefuryl with the InChIkey BBKDWPHJZANJGB-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C22H21ClN2O5/c1-14(22(26)28-13-18-3-2-10-27-18)29-16-5-7-17(8-6-16)30-21-12-24-20-11-15(23)4-9-19(20)25-21/h4-9,11-12,14,18H,2-3,10,13H2,1H3
SMILES O=C(OCC(C4)OCC4)C(C)Oc(c3)ccc(c3)Oc(c1)nc(c2)c(cc(Cl)c2)n1
InChI Key BBKDWPHJZANJGB-UHFFFAOYSA-N
Molecular Formula C22H21ClN2O5
Exact Mass 428.114 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000041
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:45:38.512803
MetadataModified 2024-01-11T22:45:38.664572
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
DTXSID3058290 EPA CompTox Dashboard
EB75I82DU0 FDA SRS
CB7255416 ChemicalBook
86175 PubChem
SCHEMBL2045133 SureChEMBL
C18764 KEGG Ligand
The data in this table is sourced from UniChem at EBI.