Dataset

Cloquintocet-mexyl

This MassBank record with Accession MSBNK-Waters-WA000044 contains the MS2 mass spectrum of Cloquintocet-mexyl with the InChIkey COYBRKAVBMYYSF-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H22ClNO3/c1-3-4-5-7-13(2)23-17(21)12-22-16-10-9-15(19)14-8-6-11-20-18(14)16/h6,8-11,13H,3-5,7,12H2,1-2H3
SMILES CCCCCC(C)OC(=O)COc(c1)c(n2)c(ccc2)c(Cl)c1
InChI Key COYBRKAVBMYYSF-UHFFFAOYSA-N
Molecular Formula C18H22ClNO3
Exact Mass 335.129 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-WA000044
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:45:04.388412
MetadataModified 2024-01-11T22:45:04.554728
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
143155 ChEBI
62981 Brenda
CB3243431 ChemicalBook
DTXSID3041794 EPA CompTox Dashboard
MCULE-7044705326 Mcule
510946 eMolecules
99607-70-2 ACToR
SCHEMBL96159 SureChEMBL
PD011978 ProbesDrugs
16573804 PubChem: Thomson Pharma
93528 PubChem
99W15EH2M3 FDA SRS
HMDB0250362 Human Metabolome Database
CHEMBL3185510 ChEMBL
J825.358G Nikkaji
HY-B2024 MedChemExpress
The data in this table is sourced from UniChem at EBI.