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
    494695 eMolecules
    PD001844 ProbesDrugs
    156391 PubChem
    DB00788 DrugBank
    15172373 PubChem: Thomson Pharma
    22204-53-1 ACToR
    naproxen Atlas
    15172374 PubChem: Thomson Pharma
    57Y76R9ATQ FDA SRS
    LSM-5689 LINCS
    SCHEMBL3046 SureChEMBL
    20209411 NMRShiftDB
    MCULE-8718466451 Mcule
    69452 Brenda
    7679 Brenda
    38412 Brenda
    174908 Brenda
    HMDB0001923 Human Metabolome Database
    CB8274937 ChemicalBook
    naproxen DailyMed
    CB8422325 ChemicalBook
    ANAPROX rxnorm
    VIMOVO rxnorm
    NAPROXEN SODIUM rxnorm
    ANAPROX clinicaltrials
    NAPRELAN clinicaltrials
    NAPROSYN clinicaltrials
    NAPROXEN clinicaltrials
    NAPROXEN SODIUM clinicaltrials
    RS-3650 clinicaltrials
    RS-3540 clinicaltrials
    BAYH6689 clinicaltrials
    BAY117031 clinicaltrials
    ALEVE clinicaltrials
    BAY-117031 clinicaltrials
    EC-NAPROSYN clinicaltrials
    HY-15030 MedChemExpress
    MCULE-2589082817 Mcule
    DTXSID4040686 EPA CompTox Dashboard
    1883 DrugCentral
    ZINC000000105216 ZINC
    5230 Guide to Pharmacology
    COYRUD CCDC
    50339185 BindingDB
    NAPROXEN DailyMed
    NAPRELAN rxnorm
    ALEVE rxnorm
    NAPROXEN rxnorm
    NAPROSYN rxnorm
    CHEMBL154 ChEMBL
    7476 ChEBI
    NPS PDBe
    The data in this table is sourced from UniChem at EBI.