Dataset

2-naphthoic acid; APCI-ITFT; MS2; CE: 35%; R=30000; [M-H]-

This MassBank record with Accession MSBNK-UFZ-UA004804 contains the MS2 mass spectrum of 2-naphthoic acid with the InChIkey UOBYKYZJUGYBDK-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H8O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,12,13)
SMILES C1=CC=C2C=C(C=CC2=C1)C(=O)O
InChI Key UOBYKYZJUGYBDK-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-UA004804
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MetadataPublished 2014-06-24
Related Molecule
  • naphthalene-2-carboxylic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL114648 ChEMBL
    C14101 KEGG Ligand
    DTXSID1059078 EPA CompTox Dashboard
    ZINC000000391805 ZINC
    NAPHAC CCDC
    J10.599F Nikkaji
    HMDB0245249 Human Metabolome Database
    7123 PubChem
    FIV PDBe
    15219510 PubChem: Thomson Pharma
    SCHEMBL98296 SureChEMBL
    93-09-4 ACToR
    QLG01V0W2L FDA SRS
    485610 eMolecules
    11095 Brenda
    16602 Brenda
    CB2363217 ChemicalBook
    MTBLC36106 Metabolights
    98134 Brenda
    75744 Brenda
    94472 Brenda
    MCULE-3354461241 Mcule
    10016025 NMRShiftDB
    36106 ChEBI
    The data in this table is sourced from UniChem at EBI.