Dataset

Atrazine-2-hydroxy; LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EA027902 contains the MS2 mass spectrum of Atrazine-2-hydroxy with the InChIkey NFMIMWNQWAWNDW-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C8H15N5O/c1-4-9-6-11-7(10-5(2)3)13-8(14)12-6/h5H,4H2,1-3H3,(H3,9,10,11,12,13,14)
SMILES c1(nc(nc(n1)O)NCC)NC(C)C
InChI Key NFMIMWNQWAWNDW-UHFFFAOYSA-N
Molecular Formula C8H15N5O
Exact Mass 197.128 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-Eawag-EA027902
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MetadataPublished 2014-01-14
Related Molecule
  • 2-(ethylamino)-6-(propan-2-ylamino)-1H-1,3,5-triazin-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    2163-68-0 ACToR
    14892014 PubChem: Thomson Pharma
    D9Y04ELA63 FDA SRS
    SCHEMBL637767 SureChEMBL
    OKM PDBe
    60027579 NMRShiftDB
    30081926 eMolecules
    164010 Brenda
    7381 Brenda
    25570 Brenda
    18316 Rhea
    HMDB0062766 Human Metabolome Database
    144419 Brenda
    MTBLC18316 Metabolights
    ZINC000013540805 ZINC
    25571 Brenda
    135398733 PubChem
    J9.489G Nikkaji
    248188 Brenda
    DTXSID6037807 EPA CompTox Dashboard
    18316 ChEBI
    C06552 KEGG Ligand
    The data in this table is sourced from UniChem at EBI.