Dataset

Nuarimol

This MassBank record with Accession MSBNK-Eawag-EQ01128603 contains the MS2 mass spectrum of Nuarimol with the InChIkey SAPGTCDSBGMXCD-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C17H12ClFN2O/c18-16-4-2-1-3-15(16)17(22,13-9-20-11-21-10-13)12-5-7-14(19)8-6-12/h1-11,22H
SMILES C1=CC=C(C(=C1)C(C2=CC=C(C=C2)F)(C3=CN=CN=C3)O)Cl
InChI Key SAPGTCDSBGMXCD-UHFFFAOYSA-N
Molecular Formula C17H12ClFN2O
Exact Mass 314.062 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01128603
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T14:11:47.972997
MetadataModified 2025-02-09T10:10:04.539439
MetadataPublished 2023-04-27
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1863087 ChEMBL
C11185 KEGG Ligand
J19.555C Nikkaji
ZU7K80U0CY FDA SRS
CB3375554 ChemicalBook
DTXSID2042220 EPA CompTox Dashboard
14923569 PubChem: Thomson Pharma
109023-55-4 ACToR
63284-71-9 ACToR
500945 eMolecules
91683 PubChem
SCHEMBL20691 SureChEMBL
The data in this table is sourced from UniChem at EBI.