Dataset

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

This MassBank record with Accession MSBNK-Athens_Univ-AU593018 contains the MS2 mass spectrum of Phenanthrene with the InChIkey YNPNZTXNASCQKK-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H
SMILES C1=CC2=C(C=C1)C1=C(C=CC=C1)C=C2
InChI Key YNPNZTXNASCQKK-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-AU593018
Version
Author
Maintainer
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MetadataPublished 2019-11-21
Related Molecule
  • phenanthrene
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:28851 chebi
    PEY rcsb_pdb
    CHEMBL46730 chembl
    29358486 surechembl
    29477074 surechembl
    30932938 surechembl
    7643 surechembl
    995 pubchem
    448J8E5BST fdasrs
    PD125798 probes_and_drugs
    PHENAN CCDC
    190517 brenda
    4940 brenda
    PEY pdbe
    HMDB0256390 hmdb
    DTXSID6024254 comptox
    NCT01092650 clinicaltrials
    NCT02999399 clinicaltrials
    NCT03631667 clinicaltrials
    50159266 bindingdb
    The data in this table is sourced from UniChem at EBI.