Dataset

Naproxen; LC-ESI-Q; MS; NEG; 30 V

This MassBank record with Accession MSBNK-Waters-WA000361 contains the MS mass spectrum of Naproxen with the InChIkey CMWTZPSULFXXJA-VIFPVBQESA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1
SMILES COc(c2)cc(c1)c(c2)cc(c1)C(C)C(O)=O
InChI Key CMWTZPSULFXXJA-VIFPVBQESA-N
Molecular Formula C14H14O3
Exact Mass 230.094 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000361
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid
  • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00788 drugbank
    CHEBI:7476 chebi
    NPS rcsb_pdb
    CHEMBL154 chembl
    29350704 surechembl
    29360045 surechembl
    3046 surechembl
    156391 pubchem
    57Y76R9ATQ fdasrs
    NPS pdbe
    PD001844 probes_and_drugs
    COYRUD CCDC
    174908 brenda
    38412 brenda
    69452 brenda
    7679 brenda
    HMDB0001923 hmdb
    DTXSID4040686 comptox
    NCT00004845 clinicaltrials
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    Molport-000-145-960 molport
    1883 drugcentral
    50009860 bindingdb
    50339185 bindingdb
    The data in this table is sourced from UniChem at EBI.