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
    PD001844 probes_and_drugs
    COYRUD CCDC
    174908 brenda
    38412 brenda
    69452 brenda
    7679 brenda
    HMDB0001923 hmdb
    1211717 bindingdb
    1211718 bindingdb
    176657 bindingdb
    176682 bindingdb
    178956 bindingdb
    179019 bindingdb
    179020 bindingdb
    390322 bindingdb
    390323 bindingdb
    390324 bindingdb
    390325 bindingdb
    390326 bindingdb
    50043600 bindingdb
    50376029 bindingdb
    50613892 bindingdb
    50707811 bindingdb
    50739630 bindingdb
    50753839 bindingdb
    50757601 bindingdb
    50772693 bindingdb
    50773458 bindingdb
    50773869 bindingdb
    50773870 bindingdb
    50777541 bindingdb
    50777570 bindingdb
    50796957 bindingdb
    50796979 bindingdb
    50834313 bindingdb
    50870655 bindingdb
    50870660 bindingdb
    50872365 bindingdb
    50872371 bindingdb
    50921869 bindingdb
    50921878 bindingdb
    50967202 bindingdb
    50967208 bindingdb
    50967380 bindingdb
    50967405 bindingdb
    50984349 bindingdb
    50984364 bindingdb
    51026328 bindingdb
    51026861 bindingdb
    51039276 bindingdb
    51039291 bindingdb
    51039986 bindingdb
    51128575 bindingdb
    51128598 bindingdb
    51186814 bindingdb
    51318257 bindingdb
    51318259 bindingdb
    51318262 bindingdb
    51318268 bindingdb
    51341581 bindingdb
    51462212 bindingdb
    51470052 bindingdb
    51470056 bindingdb
    51518197 bindingdb
    51543264 bindingdb
    Molport-000-145-960 molport
    1883 drugcentral
    The data in this table is sourced from UniChem at EBI.