Dataset

2-Acetylaminofluorene; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ01108452 contains the MS2 mass spectrum of 2-Acetylaminofluorene with the InChIkey CZIHNRWJTSTCEX-UHFFFAOYSA-N.

Chemical Information

molecular Image
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

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01108452
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MetadataPublished 2024-06-14
Related Molecule
  • N-(9H-fluoren-2-yl)acetamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:17356 chebi
    AFF rcsb_pdb
    CHEMBL311469 chembl
    29364009 surechembl
    29829339 surechembl
    75140 surechembl
    5897 pubchem
    9M98QLJ2DL fdasrs
    PD002504 probes_and_drugs
    ACAFLR CCDC
    21454 brenda
    35087 brenda
    43062 brenda
    75861 brenda
    AFF - Ideal conformer pdbe
    HMDB0244967 hmdb
    Molport-001-788-441 molport
    The data in this table is sourced from UniChem at EBI.