Dataset

PHENANTHRENE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP004719 contains the MS 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 c(c3)cc(c1)c(c3)c(c2)c(ccc2)c1
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-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP004719
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • phenanthrene
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    85-01-8 ACToR
    PHENANTHRENE clinicaltrials
    HY-B1727 MedChemExpress
    DTXSID6024254 EPA CompTox Dashboard
    ZINC000000967819 ZINC
    50159266 BindingDB
    J3.885G Nikkaji
    HMDB0256390 Human Metabolome Database
    PHENAN CCDC
    PEY PDBe
    CHEMBL46730 ChEMBL
    28851 ChEBI
    C11422 KEGG Ligand
    995 PubChem
    15339874 PubChem: Thomson Pharma
    448J8E5BST FDA SRS
    PD125798 ProbesDrugs
    492842 eMolecules
    4940 Brenda
    CB8854465 ChemicalBook
    MTBLC28851 Metabolights
    MCULE-8033936622 Mcule
    SCHEMBL7643 SureChEMBL
    10016515 NMRShiftDB
    The data in this table is sourced from UniChem at EBI.