Dataset

Tetrachlorosalicylanilide; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M-H]-

This MassBank record with Accession MSBNK-Athens_Univ-AU236960 contains the MS2 mass spectrum of Tetrachlorosalicylanilide with the InChIkey SJQBHPJLLIJASD-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H7Cl4NO2/c14-6-3-8(12(19)11(17)4-6)13(20)18-7-1-2-9(15)10(16)5-7/h1-5,19H,(H,18,20)
SMILES OC1=C(C=C(Cl)C=C1Cl)C(=O)NC1=CC=C(Cl)C(Cl)=C1
InChI Key SJQBHPJLLIJASD-UHFFFAOYSA-N
Molecular Formula C13H7Cl4NO2
Exact Mass 348.923 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU236960
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MetadataPublished 2019-03-29
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    Measurement Variables
    Data-Source Molecule ID Data-Source
    14385 PubChem
    PD052331 ProbesDrugs
    14802905 PubChem: Thomson Pharma
    SCHEMBL168748 SureChEMBL
    1154-59-2 ACToR
    HNE676755I FDA SRS
    718480 eMolecules
    20207437 NMRShiftDB
    MCULE-3488435643 Mcule
    174742 Brenda
    50215974 BindingDB
    CHEMBL291338 ChEMBL
    DTXSID4040767 EPA CompTox Dashboard
    CB4672885 ChemicalBook
    HMDB0246012 Human Metabolome Database
    J7.287G Nikkaji
    ZINC000001081469 ZINC
    188648 ChEBI
    The data in this table is sourced from UniChem at EBI.