Dataset

2-ACETYLTHIOPHENE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP007779 contains the MS mass spectrum of 2-ACETYLTHIOPHENE with the InChIkey WYJOVVXUZNRJQY-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C6H6OS/c1-5(7)6-3-2-4-8-6/h2-4H,1H3
SMILES CC(=O)c(c1)scc1
InChI Key WYJOVVXUZNRJQY-UHFFFAOYSA-N
Molecular Formula C6H6OS
Exact Mass 126.014 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP007779
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 1-thiophen-2-ylethanone
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    Measurement Technique liquid chromatography-mass spectrometry
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    Data-Source Molecule ID Data-Source
    15146571 PubChem: Thomson Pharma
    SCHEMBL3798 SureChEMBL
    6920 PubChem
    179841 ChEBI
    88-15-3 ACToR
    474837 eMolecules
    172717 Brenda
    CB5259889 ChemicalBook
    215583 Brenda
    68740 Brenda
    HMDB0033133 Human Metabolome Database
    MCULE-7771755380 Mcule
    10008973 NMRShiftDB
    CHEMBL401911 ChEMBL
    5ASO208T20 FDA SRS
    ZINC000000157402 ZINC
    J4.289G Nikkaji
    50376211 BindingDB
    DTXSID2058960 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.