Dataset

Tiaprofenic acid; LC-ESI-Q; MS; POS; 45 V

This MassBank record with Accession MSBNK-Waters-WA001527 contains the MS mass spectrum of Tiaprofenic acid with the InChIkey GUHPRPJDBZHYCJ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H12O3S/c1-9(14(16)17)11-7-8-12(18-11)13(15)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17)
SMILES OC(=O)C(C)c(c2)sc(c2)C(=O)c(c1)cccc1
InChI Key GUHPRPJDBZHYCJ-UHFFFAOYSA-N
Molecular Formula C14H12O3S
Exact Mass 260.051 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-WA001527
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MetadataPublished 2016-01-19
Related Molecule
  • 2-(5-benzoylthiophen-2-yl)propanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J3.176C Nikkaji
    2652 DrugCentral
    DTXSID5023665 EPA CompTox Dashboard
    HY-106579 MedChemExpress
    1LS1T6R34C FDA SRS
    SURGAM clinicaltrials
    RU-15060 clinicaltrials
    TIAPROFENIC ACID clinicaltrials
    TIAPROFENIC ACID rxnorm
    TIAPROFENATE rxnorm
    CB4875253 ChemicalBook
    CHEMBL365795 ChEMBL
    DB01600 DrugBank
    33005-95-7 ACToR
    5468 PubChem
    LSM-1769 LINCS
    15197037 PubChem: Thomson Pharma
    SCHEMBL25639 SureChEMBL
    PD009458 ProbesDrugs
    36553049 eMolecules
    223313 BindingDB
    HMDB0015538 Human Metabolome Database
    PA164764503 PharmGKB
    32221 ChEBI
    The data in this table is sourced from UniChem at EBI.