Dataset

6-Methyl-1,3,5-triazine-2,4-diamine; LC-ESI-QFT; MS2; CE: 90%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ00429306 contains the MS2 mass spectrum of 6-Methyl-1,3,5-triazine-2,4-diamine with the InChIkey NJYZCEFQAIUHSD-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C4H7N5/c1-2-7-3(5)9-4(6)8-2/h1H3,(H4,5,6,7,8,9)
SMILES CC1=NC(=NC(=N1)N)N
InChI Key NJYZCEFQAIUHSD-UHFFFAOYSA-N
Molecular Formula C4H7N5
Exact Mass 125.070 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ00429306
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Maintainer
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MetadataPublished 2024-06-14
Related Molecule
  • 6-methyl-1,3,5-triazine-2,4-diamine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:72475 chebi
    3AW rcsb_pdb
    CHEMBL1738722 chembl
    19903723 surechembl
    36733 surechembl
    10949 pubchem
    AX41T8ULB3 fdasrs
    HOMZEQ CCDC
    3AW - Ideal conformer pdbe
    Molport-001-764-848 molport
    The data in this table is sourced from UniChem at EBI.