Dataset

1-Naphthol; APCI-ITFT; MS2; CE: 35%; R=30000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UA004603 contains the MS2 mass spectrum of 1-Naphthol with the InChIkey KJCVRFUGPWSIIH-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H
SMILES C1=CC=C2C(=C1)C=CC=C2O
InChI Key KJCVRFUGPWSIIH-UHFFFAOYSA-N
Molecular Formula C10H8O
Exact Mass 144.058 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-UA004603
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MetadataPublished 2014-06-24
Related Molecule
  • naphthalen-1-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DTXSID6021793 EPA CompTox Dashboard
    HY-Y1309 MedChemExpress
    23450 BindingDB
    NAPHOL CCDC
    J3.911J Nikkaji
    CB3902637 ChemicalBook
    1-NAPHTHOL rxnorm
    1NP PDBe
    CHEMBL122617 ChEMBL
    C11714 KEGG Ligand
    10319 ChEBI
    7005 PubChem
    MCULE-2825050946 Mcule
    10016006 NMRShiftDB
    SCHEMBL3416 SureChEMBL
    2542 Brenda
    800 Brenda
    MTBLC10319 Metabolights
    CB0279325 ChemicalBook
    ZINC000004292977 ZINC
    HMDB0012138 Human Metabolome Database
    495730 eMolecules
    PD099433 ProbesDrugs
    2A71EAQ389 FDA SRS
    15170814 PubChem: Thomson Pharma
    50356-21-3 ACToR
    90-15-3 ACToR
    The data in this table is sourced from UniChem at EBI.