Dataset

Simazine-2-Hydroxy; LC-ESI-QTOF; MS2; CE: Ramp 17.4-26.1 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU207906 contains the MS2 mass spectrum of Simazine-2-Hydroxy with the InChIkey YQIXRXMOJFQVBV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H13N5O/c1-3-8-5-10-6(9-4-2)12-7(13)11-5/h3-4H2,1-2H3,(H3,8,9,10,11,12,13)
SMILES CCNC1=NC(NCC)=NC(O)=N1
InChI Key YQIXRXMOJFQVBV-UHFFFAOYSA-N
Molecular Formula C7H13N5O
Exact Mass 183.112 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-Athens_Univ-AU207906
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Maintainer
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MetadataPublished 2019-05-30
Related Molecule
  • 2,6-bis(ethylamino)-1H-1,3,5-triazin-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J113.334I Nikkaji
    83476 ChEBI
    DTXSID6062547 EPA CompTox Dashboard
    2MHC1OXH2M FDA SRS
    ZINC000013542451 ZINC
    MTBLC83476 Metabolights
    101809 Brenda
    69518 Brenda
    135408659 PubChem
    SCHEMBL4124952 SureChEMBL
    2599-11-3 ACToR
    35870393 eMolecules
    The data in this table is sourced from UniChem at EBI.