Dataset

o-Phenanthroline; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

This MassBank record with Accession MSBNK-Keio_Univ-KO003775 contains the MS2 mass spectrum of o-Phenanthroline with the InChIkey DGEZNRSVGBDHLK-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8H
SMILES c(c3)cc(c1)c(n3)c(n2)c(ccc2)c1
InChI Key DGEZNRSVGBDHLK-UHFFFAOYSA-N
Molecular Formula C12H8N2
Exact Mass 180.069 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-Keio_Univ-KO003775
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 1,10-phenanthroline
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB02365 drugbank
    PHN rcsb_pdb
    CHEMBL415879 chembl
    29354015 surechembl
    29367277 surechembl
    8312 surechembl
    1318 pubchem
    W4X6ZO7939 fdasrs
    12425 gtopdb
    PD002621 probes_and_drugs
    OPENAN CCDC
    107021 brenda
    107022 brenda
    118217 brenda
    129824 brenda
    15433 brenda
    178141 brenda
    20440 brenda
    239 brenda
    25947 brenda
    30295 brenda
    62 brenda
    6650 brenda
    66663 brenda
    69251 brenda
    94537 brenda
    HMDB0244053 hmdb
    Molport-000-884-337 molport
    50092158 bindingdb
    The data in this table is sourced from UniChem at EBI.