Dataset

Kinetin; LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-

This MassBank record with Accession MSBNK-LCSB-LU078154 contains the MS2 mass spectrum of Kinetin with the InChIkey QANMHLXAZMSUEX-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H9N5O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5-6H,4H2,(H2,11,12,13,14,15)
SMILES C(NC1=C2N=CN=C2N=CN1)C1=CC=CO1
InChI Key QANMHLXAZMSUEX-UHFFFAOYSA-N
Molecular Formula C10H9N5O
Exact Mass 215.081 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-LCSB-LU078154
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MetadataPublished 2020-08-19
Related Molecule
  • N-(furan-2-ylmethyl)-7H-purin-6-amine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB11336 drugbank
    H35 rcsb_pdb
    CHEMBL228792 chembl
    15705 surechembl
    15706 surechembl
    23014706 surechembl
    23818 surechembl
    29453466 surechembl
    29829493 surechembl
    3830 pubchem
    P39Y9652YJ fdasrs
    H35 pdbe
    PD001590 probes_and_drugs
    KINTIN CCDC
    244031 brenda
    30265 brenda
    3475 brenda
    96037 brenda
    CHEBI:27407 chebi
    HMDB0012245 hmdb
    DTXSID9035175 comptox
    NCT01898182 clinicaltrials
    NCT02274051 clinicaltrials
    Molport-000-384-326 molport
    Molport-003-848-335 molport
    Molport-006-111-624 molport
    181147 bindingdb
    39302 bindingdb
    The data in this table is sourced from UniChem at EBI.