Dataset

o-Phenanthroline Monohydrate, 1,10-phenanthroline, 1,10-Phenanthroline monohydrate; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PT100210 contains the MS2 mass spectrum of o-Phenanthroline Monohydrate, 1,10-phenanthroline, 1,10-Phenanthroline monohydrate 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 C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1
InChI Key DGEZNRSVGBDHLK-UHFFFAOYSA-N
Molecular Formula C12H8N2
Exact Mass 180.210 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PT100210
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MetadataPublished 2008-07-24
Related Molecule
  • 1,10-phenanthroline
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL8312 SureChEMBL
    14772738 PubChem: Thomson Pharma
    66-71-7 ACToR
    W4X6ZO7939 FDA SRS
    PD002621 ProbesDrugs
    1318 PubChem
    LSM-18864 LINCS
    480572 eMolecules
    69251 Brenda
    94537 Brenda
    239 Brenda
    15433 Brenda
    CB4283203 ChemicalBook
    25947 Brenda
    6650 Brenda
    66663 Brenda
    MCULE-2911225521 Mcule
    44975 ChEBI
    20127648 NMRShiftDB
    OPENAN CCDC
    HMDB0244053 Human Metabolome Database
    J4.844E Nikkaji
    ZINC000000164363 ZINC
    DTXSID1025857 EPA CompTox Dashboard
    62 Brenda
    HY-W004544 MedChemExpress
    O-PHENANTHROLINE rxnorm
    118217 Brenda
    50092158 BindingDB
    DB02365 DrugBank
    C00604 KEGG Ligand
    PHN PDBe
    CHEMBL415879 ChEMBL
    The data in this table is sourced from UniChem at EBI.