Dataset

Naproxen; LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+

This MassBank record with Accession MSBNK-UFZ-UF406601 contains the MS2 mass spectrum of Naproxen with the InChIkey CMWTZPSULFXXJA-UHFFFAOYSA-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)
SMILES COC1=CC2=CC=C(C=C2C=C1)C(C)C(O)=O
InChI Key CMWTZPSULFXXJA-UHFFFAOYSA-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/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UF406601
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MetadataPublished 2017-01-05
Related Molecule
  • 2-(6-methoxynaphthalen-2-yl)propanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    COYRUD CCDC
    HMDB0245654 Human Metabolome Database
    J242.713C Nikkaji
    J9.289D Nikkaji
    91939 ChEBI
    50009860 BindingDB
    CB0239095 ChemicalBook
    14749324 PubChem: Thomson Pharma
    1302 PubChem
    CHEMBL12952 ChEMBL
    C01517 KEGG Ligand
    PD013333 ProbesDrugs
    CB02639112 ChemicalBook
    26159-31-9 ACToR
    23981-80-8 ACToR
    LSM-1880 LINCS
    846543 eMolecules
    MCULE-6293512671 Mcule
    SCHEMBL145769 SureChEMBL
    PA450595 PharmGKB
    1792 Brenda
    The data in this table is sourced from UniChem at EBI.