Dataset

2-Thiophenecarboxylic acid; LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV

This MassBank record with Accession MSBNK-Fiocruz-FIO00389 contains the MS2 mass spectrum of 2-Thiophenecarboxylic acid with the InChIkey QERYCTSHXKAMIS-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C5H4O2S/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)
SMILES OC(=O)c(c1)scc1
InChI Key QERYCTSHXKAMIS-UHFFFAOYSA-N
Molecular Formula C5H4O2S
Exact Mass 127.993 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-Fiocruz-FIO00389
Version
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • thiophene-2-carboxylic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:71241 chebi
    C21 rcsb_pdb
    CHEMBL1222314 chembl
    83000 surechembl
    10700 pubchem
    3FD00JX53J fdasrs
    TPENAC CCDC
    134090 brenda
    45132 brenda
    91195 brenda
    97228 brenda
    HMDB0259027 hmdb
    Molport-000-158-648 molport
    50324678 bindingdb
    The data in this table is sourced from UniChem at EBI.