Dataset

Anthracene; GC-APCI-QTOF; MS2; CE: 10 eV; R=35000; [M]+

This MassBank record with Accession MSBNK-Athens_Univ-AU590317 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-AU590317
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Author
Maintainer
Language
MetadataPublished 2019-11-21
Related Molecule
  • anthracene
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DTXSID0023878 EPA CompTox Dashboard
    ZINC000001586329 ZINC
    J2.916E Nikkaji
    HMDB0248460 Human Metabolome Database
    ANTCEN CCDC
    50060894 BindingDB
    C14315 KEGG Ligand
    CHEMBL333179 ChEMBL
    AN3 PDBe
    J3.643.785E Nikkaji
    6682 Brenda
    CB7375466 ChemicalBook
    SCHEMBL7703 SureChEMBL
    10016514 NMRShiftDB
    35298 ChEBI
    MCULE-4141881437 Mcule
    8418 PubChem
    15219636 PubChem: Thomson Pharma
    120-12-7 ACToR
    EH46A1TLD7 FDA SRS
    478023 eMolecules
    The data in this table is sourced from UniChem at EBI.