Dataset

Fluorene; GC-APCI-QTOF; MS2; CE: 20 eV; R=35000; [M]+

This MassBank record with Accession MSBNK-Athens_Univ-AU591618 contains the MS2 mass spectrum of Fluorene with the InChIkey NIHNNTQXNPWCJQ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H10/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-8H,9H2
SMILES C1C2=C(C=CC=C2)C2=C1C=CC=C2
InChI Key NIHNNTQXNPWCJQ-UHFFFAOYSA-N
Molecular Formula C13H10
Exact Mass 166.078 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-AU591618
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Maintainer
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MetadataPublished 2019-11-21
Related Molecule
  • 9H-fluorene
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    C07715 KEGG Ligand
    28266 ChEBI
    CHEMBL16236 ChEMBL
    238643 Brenda
    HY-W026772 MedChemExpress
    DTXSID8024105 EPA CompTox Dashboard
    FLUREN CCDC
    J3.895D Nikkaji
    HMDB0252355 Human Metabolome Database
    ZINC000000968333 ZINC
    6853 PubChem
    PD158298 ProbesDrugs
    3Q2UY0968A FDA SRS
    15114528 PubChem: Thomson Pharma
    86-73-7 ACToR
    2299-68-5 ACToR
    84987-80-4 ACToR
    480275 eMolecules
    CB3717011 ChemicalBook
    6736 Brenda
    9FL PDBe
    SCHEMBL8180 SureChEMBL
    10016530 NMRShiftDB
    MCULE-2124580251 Mcule
    The data in this table is sourced from UniChem at EBI.