Dataset

2-Acetylaminofluorene

This MassBank record with Accession MSBNK-Eawag-EQ01108408 contains the MS2 mass spectrum of 2-Acetylaminofluorene with the InChIkey CZIHNRWJTSTCEX-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C15H13NO/c1-10(17)16-13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)15/h2-7,9H,8H2,1H3,(H,16,17)
SMILES	CC(=O)NC1=CC=C2C(CC3=C2C=CC=C3)=C1
InChI Key	CZIHNRWJTSTCEX-UHFFFAOYSA-N
Molecular Formula	C15H13NO
Exact Mass	223.100 g/mol

Data and Resources

2-AcetylaminofluoreneHTML
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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01108408
Version
Author
Maintainer
Language
MetadataCreated	2025-02-09T10:08:22.691272
MetadataModified	2025-02-09T10:08:22.865388
MetadataPublished	2024-06-14
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CB9463907	ChemicalBook
LSM-37153	LINCS
DTXSID0039227	EPA CompTox Dashboard
ACAFLR	CCDC
J2.312D	Nikkaji
HMDB0244967	Human Metabolome Database
ZINC000000154557	ZINC
75861	Brenda
C02778	KEGG Ligand
CHEMBL311469	ChEMBL
17356	ChEBI
AFF	PDBe
5897	PubChem
PD002504	ProbesDrugs
acetamidofluorene	Atlas
15245160	PubChem: Thomson Pharma
2508-21-6	ACToR
53-96-3	ACToR
9M98QLJ2DL	FDA SRS
474366	eMolecules
17356	Rhea
21454	Brenda
43062	Brenda
35087	Brenda
10017863	NMRShiftDB
SCHEMBL75140	SureChEMBL
MCULE-6066498727	Mcule
The data in this table is sourced from UniChem at EBI.