Dataset

Quinmerac

This MassBank record with Accession MSBNK-Eawag-EQ372007 contains the MS2 mass spectrum of Quinmerac with the InChIkey ALZOLUNSQWINIR-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C11H8ClNO2/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6/h2-5H,1H3,(H,14,15)
SMILES CC1=CN=C2C(=C1)C=CC(=C2C(=O)O)Cl
InChI Key ALZOLUNSQWINIR-UHFFFAOYSA-N
Molecular Formula C11H8ClNO2
Exact Mass 221.024 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-Eawag-EQ372007
Version
Author
Maintainer
Language
MetadataCreated 2024-01-15T11:58:34.509041
MetadataModified 2025-02-09T10:14:50.956338
MetadataPublished 2015-08-25
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
HMDB0257043 Human Metabolome Database
84199 ChEBI
J661.713A Nikkaji
DTXSID1042364 EPA CompTox Dashboard
CB8468273 ChemicalBook
C18891 KEGG Ligand
ZINC000002516979 ZINC
CHEMBL2448918 ChEMBL
91749 PubChem
SCHEMBL54128 SureChEMBL
14797970 PubChem: Thomson Pharma
90717-03-6 ACToR
0OFY83UPMH FDA SRS
501265 eMolecules
The data in this table is sourced from UniChem at EBI.