Dataset

Flurtamone

This MassBank record with Accession MSBNK-Athens_Univ-AU231860 contains the MS2 mass spectrum of Flurtamone with the InChIkey NYRMIJKDBAQCHC-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H14F3NO2/c1-22-17-14(12-8-5-9-13(10-12)18(19,20)21)15(23)16(24-17)11-6-3-2-4-7-11/h2-10,16,22H,1H3
SMILES CNC1=C(C(=O)C(O1)C1=CC=CC=C1)C1=CC=CC(=C1)C(F)(F)F
InChI Key NYRMIJKDBAQCHC-UHFFFAOYSA-N
Molecular Formula C18H14F3NO2
Exact Mass 333.098 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-Athens_Univ-AU231860
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T10:03:14.276131
MetadataModified 2025-02-08T19:08:49.081792
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1863061 ChEMBL
HMDB0252414 Human Metabolome Database
U2379SGQ8L FDA SRS
J265.195E Nikkaji
DTXSID5058228 EPA CompTox Dashboard
CB6491264 ChemicalBook
16390422 PubChem: Thomson Pharma
96525-23-4 ACToR
91755 PubChem
SCHEMBL54435 SureChEMBL
511155 eMolecules
163099 Brenda
138738 ChEBI
The data in this table is sourced from UniChem at EBI.