Dataset

Atrazine; ESI-QTOF; MS2; CE: 40; [M+H]+

This MassBank record with Accession MSBNK-AGILENT-AG000026 contains the MS2 mass spectrum of Atrazine with the InChIkey MXWJVTOOROXGIU-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H14ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14)
SMILES CCNC1N=C(Cl)N=C(NC(C)C)N=1
InChI Key MXWJVTOOROXGIU-UHFFFAOYSA-N
Molecular Formula C8H14ClN5
Exact Mass 215.094 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AGILENT-AG000026
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MetadataPublished 2023-02-17
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    Measurement Technique liquid chromatography-mass spectrometry
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    C06551 KEGG Ligand
    CHEMBL15063 ChEMBL
    15930 ChEBI
    ATZ PDBe
    HY-N7091 MedChemExpress
    DTXSID9020112 EPA CompTox Dashboard
    J3.685D Nikkaji
    PORJIR CCDC
    CB3349447 ChemicalBook
    SCHEMBL21045984 SureChEMBL
    MCULE-1965771911 Mcule
    2256 PubChem
    1113 Brenda
    ZINC000003078958 ZINC
    15930 Rhea
    HMDB0041830 Human Metabolome Database
    CB6349448 ChemicalBook
    15172027 PubChem: Thomson Pharma
    60027796 NMRShiftDB
    PD005295 ProbesDrugs
    QJA9M5H4IM FDA SRS
    11121-31-6 ACToR
    1912-24-9 ACToR
    SCHEMBL36936 SureChEMBL
    LSM-18990 LINCS
    495715 eMolecules
    The data in this table is sourced from UniChem at EBI.