Dataset

Atrazine-desisopropyl-2-hydroxy; LC-ESI-QTOF; MS2; 60 V

This MassBank record with Accession MSBNK-BAFG-CSL2311096282 contains the MS2 mass spectrum of Atrazine-desisopropyl-2-hydroxy with the InChIkey XRVCXZWINJOORX-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C5H9N5O/c1-2-7-4-8-3(6)9-5(11)10-4/h2H2,1H3,(H4,6,7,8,9,10,11)
SMILES CCNC1=NC(=O)N=C(N)N1
InChI Key XRVCXZWINJOORX-UHFFFAOYSA-N
Molecular Formula C5H9N5O
Exact Mass 155.081 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311096282
Version
Author
Maintainer
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MetadataPublished 2023-11-09
Related Molecule
  • 2-amino-6-(ethylamino)-1H-1,3,5-triazin-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J113.316K Nikkaji
    DTXSID6074756 EPA CompTox Dashboard
    135398734 PubChem
    C06557 KEGG Ligand
    28363 ChEBI
    P18RY79LAY FDA SRS
    118309 Brenda
    101811 Brenda
    69526 Brenda
    ZINC000013542454 ZINC
    SCHEMBL3173616 SureChEMBL
    7313-54-4 ACToR
    508641 eMolecules
    The data in this table is sourced from UniChem at EBI.