Dataset

N-Phenyl-1-naphthylamine; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UF413904 contains the MS2 mass spectrum of N-Phenyl-1-naphthylamine with the InChIkey XQVWYOYUZDUNRW-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H13N/c1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16/h1-12,17H
SMILES N(C1=CC=CC=C1)C1=CC=CC2=CC=CC=C12
InChI Key XQVWYOYUZDUNRW-UHFFFAOYSA-N
Molecular Formula C16H13N
Exact Mass 219.105 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-UFZ-UF413904
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MetadataPublished 2017-01-05
Related Molecule
  • N-phenylnaphthalen-1-amine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL170408 ChEMBL
    C14405 KEGG Ligand
    J3.913F Nikkaji
    HMDB0255223 Human Metabolome Database
    50504083 BindingDB
    34876 ChEBI
    DTXSID2025892 EPA CompTox Dashboard
    ZINC000001513833 ZINC
    FNA PDBe
    5I112077IN FDA SRS
    90-30-2 ACToR
    28258-64-2 ACToR
    205526-65-4 ACToR
    219315-45-4 ACToR
    SCHEMBL19796 SureChEMBL
    14797916 PubChem: Thomson Pharma
    7013 PubChem
    477534 eMolecules
    135986 Brenda
    CB4322681 ChemicalBook
    MCULE-2899539053 Mcule
    20096893 NMRShiftDB
    The data in this table is sourced from UniChem at EBI.