Dataset

Acridone

This MassBank record with Accession MSBNK-Athens_Univ-AU231005 contains the MS2 mass spectrum of Acridone with the InChIkey FZEYVTFCMJSGMP-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C13H9NO/c15-13-9-5-1-3-7-11(9)14-12-8-4-2-6-10(12)13/h1-8H,(H,14,15)
SMILES O=C1C2=CC=CC=C2NC2=CC=CC=C12
InChI Key FZEYVTFCMJSGMP-UHFFFAOYSA-N
Molecular Formula C13H9NO
Exact Mass 195.068 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-AU231005
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:49:43.921369
MetadataModified 2025-02-08T19:11:22.412489
MetadataPublished 2019-04-08
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000008628578 ZINC
CB5264685 ChemicalBook
SCHEMBL19289 SureChEMBL
10017816 NMRShiftDB
6BK306GUQA FDA SRS
MCULE-1876725898 Mcule
2015 PubChem
PD158254 ProbesDrugs
15195416 PubChem: Thomson Pharma
643-62-9 ACToR
15120874 PubChem: Thomson Pharma
578-95-0 ACToR
1867815 eMolecules
474875 eMolecules
74759 BindingDB
HIBXOF CCDC
HMDB0246984 Human Metabolome Database
J66.880J Nikkaji
J1.702.427B Nikkaji
HY-W007771 MedChemExpress
DTXSID8060371 EPA CompTox Dashboard
50756 ChEBI
CHEMBL436589 ChEMBL
The data in this table is sourced from UniChem at EBI.