Dataset

3-(2-Naphthyl)-D-alanine; LC-ESI-QTOF; MS; POSITIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80295 contains the MS mass spectrum of 3-(2-Naphthyl)-D-alanine with the InChIkey JPZXHKDZASGCLU-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H13NO2/c14-12(13(15)16)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8,14H2,(H,15,16)
SMILES C1=CC=C2C=C(C=CC2=C1)CC(C(=O)O)N
InChI Key JPZXHKDZASGCLU-UHFFFAOYSA-N
Molecular Formula C13H13NO2
Exact Mass 215.095 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML80295
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MetadataPublished 2016-01-19
Related Molecule
  • 2-amino-3-naphthalen-2-ylpropanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    14748983 PubChem: Thomson Pharma
    14108-60-2 ACToR
    PD043148 ProbesDrugs
    SCHEMBL93304 SureChEMBL
    250399 PubChem
    DTXSID50290595 EPA CompTox Dashboard
    MCULE-6903330528 Mcule
    CHEMBL3272605 ChEMBL
    J1.213.364B Nikkaji
    136452 Brenda
    CB9199835 ChemicalBook
    592769 eMolecules
    The data in this table is sourced from UniChem at EBI.