Dataset

9-Fluorenone

This MassBank record with Accession MSBNK-UFZ-UA001103 contains the MS2 mass spectrum of 9-Fluorenone with the InChIkey YLQWCDOCJODRMT-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C13H8O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8H
SMILES c1ccc2c(c1)c1ccccc1C2=O
InChI Key YLQWCDOCJODRMT-UHFFFAOYSA-N
Molecular Formula C13H8O
Exact Mass 180.058 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-UFZ-UA001103
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:53:04.354714
MetadataModified 2025-02-09T19:47:54.206913
MetadataPublished 2014-06-24
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL571655 ChEMBL
17922 ChEBI
DTXSID6049307 EPA CompTox Dashboard
ZINC000000968253 ZINC
50303915 BindingDB
FLURON CCDC
J2.596H Nikkaji
C06712 KEGG Ligand
15315486 PubChem: Thomson Pharma
486-25-9 ACToR
AZ9T83S2AQ FDA SRS
10241 PubChem
509887 eMolecules
MCULE-3341096841 Mcule
10015921 NMRShiftDB
SCHEMBL31884 SureChEMBL
105329 Brenda
17922 Rhea
CB2304953 ChemicalBook
MTBLC17922 Metabolights
5705 Brenda
100536 Brenda
The data in this table is sourced from UniChem at EBI.