Dataset

Biphenyl; GC-APCI-QTOF; MS2; CE: 40 eV; R=35000; [M]+

This MassBank record with Accession MSBNK-Athens_Univ-AU504009 contains the MS2 mass spectrum of Biphenyl with the InChIkey ZUOUZKKEUPVFJK-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H
SMILES C1=CC=C(C=C1)C2=CC=CC=C2
InChI Key ZUOUZKKEUPVFJK-UHFFFAOYSA-N
Molecular Formula C12H10
Exact Mass 154.078 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-AU504009
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MetadataPublished 2021-04-20
Related Molecule
  • 1,1'-biphenyl
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL14092 ChEMBL
    17097 ChEBI
    C06588 KEGG Ligand
    BIPHEN CCDC
    J3.929B Nikkaji
    DTXSID4020161 EPA CompTox Dashboard
    ZINC000000968250 ZINC
    50168002 BindingDB
    BNL PDBe
    SCHEMBL164 SureChEMBL
    MCULE-2274387658 Mcule
    10006018 NMRShiftDB
    1885 Brenda
    107817 Brenda
    CB2491271 ChemicalBook
    17097 Rhea
    HMDB0034437 Human Metabolome Database
    7095 PubChem
    PD144582 ProbesDrugs
    2L9GJK6MGN FDA SRS
    14747957 PubChem: Thomson Pharma
    92-52-4 ACToR
    56481-93-7 ACToR
    68409-73-4 ACToR
    481835 eMolecules
    The data in this table is sourced from UniChem at EBI.