Dataset

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

This MassBank record with Accession MSBNK-Athens_Univ-AU590302 contains the MS2 mass spectrum of Anthracene with the InChIkey MWPLVEDNUUSJAV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H
SMILES C1=CC2=CC3=C(C=CC=C3)C=C2C=C1
InChI Key MWPLVEDNUUSJAV-UHFFFAOYSA-N
Molecular Formula C14H10
Exact Mass 178.078 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-AU590302
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Author
Maintainer
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MetadataPublished 2019-11-21
Related Molecule
  • anthracene
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:35297 chebi
    AN3 rcsb_pdb
    CHEMBL333179 chembl
    29352043 surechembl
    7703 surechembl
    8418 pubchem
    EH46A1TLD7 fdasrs
    ANTCEN CCDC
    6682 brenda
    HMDB0248460 hmdb
    50060894 bindingdb
    The data in this table is sourced from UniChem at EBI.