Dataset

Kinetin-9-riboside; LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00548 contains the MS2 mass spectrum of Kinetin-9-riboside with the InChIkey CAGLGYNQQSIUGX-SDBHATRESA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H17N5O5/c21-5-9-11(22)12(23)15(25-9)20-7-19-10-13(17-6-18-14(10)20)16-4-8-2-1-3-24-8/h1-3,6-7,9,11-12,15,21-23H,4-5H2,(H,16,17,18)/t9-,11-,12-,15-/m1/s1
SMILES C1=COC(=C1)CNC2=NC=NC3=C2N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
InChI Key CAGLGYNQQSIUGX-SDBHATRESA-N
Molecular Formula C15H17N5O5
Exact Mass 347.123 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-Washington_State_Univ-BML00548
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • (2R,3R,4S,5R)-2-[6-(furan-2-ylmethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL411066 ChEMBL
    HY-101055 MedChemExpress
    95050 ChEBI
    50241447 BindingDB
    J128.130E Nikkaji
    BERHAH CCDC
    ZINC000002169849 ZINC
    CB0757845 ChemicalBook
    70073409 NMRShiftDB
    PD063763 ProbesDrugs
    15977117 PubChem: Thomson Pharma
    SCHEMBL3190252 SureChEMBL
    LSM-6292 LINCS
    539823 eMolecules
    103239 Brenda
    175732 Brenda
    93751 Brenda
    20345 PubChem
    The data in this table is sourced from UniChem at EBI.