Dataset

1-naphthalenecarboxaldehyde, 2-hydroxy; APCI-ITFT; MS2; CE: 35%; R=30000; [M-H]-

This MassBank record with Accession MSBNK-UFZ-UA001304 contains the MS2 mass spectrum of 1-naphthalenecarboxaldehyde, 2-hydroxy with the InChIkey NTCCNERMXRIPTR-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H8O2/c12-7-10-9-4-2-1-3-8(9)5-6-11(10)13/h1-7,13H
SMILES c1ccc2c(c1)ccc(c2C=O)O
InChI Key NTCCNERMXRIPTR-UHFFFAOYSA-N
Molecular Formula C11H8O2
Exact Mass 172.052 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-UA001304
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Maintainer
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MetadataPublished 2014-06-24
Related Molecule
  • 2-hydroxynaphthalene-1-carbaldehyde
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:137369 chebi
    7WO rcsb_pdb
    CHEMBL3265255 chembl
    29358409 surechembl
    304032 surechembl
    12819 pubchem
    PP9CFN7QNL fdasrs
    PD139178 probes_and_drugs
    APATUJ CCDC
    152463 brenda
    HMDB0245141 hmdb
    Molport-000-871-209 molport
    50013794 bindingdb
    The data in this table is sourced from UniChem at EBI.