Dataset

FLUORANTHENE; CI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP012353 contains the MS mass spectrum of FLUORANTHENE with the InChIkey GVEPBJHOBDJJJI-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H10/c1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14/h1-10H
SMILES c(c4)cc(c(c4)1)c(c3)c(c2cc3)c(ccc2)1
InChI Key GVEPBJHOBDJJJI-UHFFFAOYSA-N
Molecular Formula C16H10
Exact Mass 202.078 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP012353
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • fluoranthene
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    C19425 KEGG Ligand
    CHEMBL355014 ChEMBL
    33083 ChEBI
    J2.973D Nikkaji
    HMDB0252354 Human Metabolome Database
    FLUANT CCDC
    DTXSID3024104 EPA CompTox Dashboard
    10016521 NMRShiftDB
    MCULE-8741992230 Mcule
    SCHEMBL27152 SureChEMBL
    ZINC000008585874 ZINC
    CB3123401 ChemicalBook
    9536 Brenda
    14818719 PubChem: Thomson Pharma
    360UOL779Z FDA SRS
    9154 PubChem
    76774-50-0 ACToR
    206-44-0 ACToR
    501817 eMolecules
    The data in this table is sourced from UniChem at EBI.