Dataset

2-[6-(diethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol; LC-APCI-QTOF; MS; NEGATIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80238 contains the MS mass spectrum of 2-[6-(diethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol with the InChIkey AVNJCDRLZOVEDM-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H21N5O4/c1-3-18(4-2)12-9-13(16-6-15-12)19(7-17-9)14-11(22)10(21)8(5-20)23-14/h6-8,10-11,14,20-22H,3-5H2,1-2H3
SMILES CCN(CC)C1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)O)O
InChI Key AVNJCDRLZOVEDM-UHFFFAOYSA-N
Molecular Formula C14H21N5O4
Exact Mass 323.159 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-BML80238
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MetadataPublished 2016-01-19
Related Molecule
  • 2-[6-(diethylamino)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
    CHEMBL4982153 chembl
    13170052 surechembl
    3300105 pubchem
    PD202021 probes_and_drugs
    Molport-002-808-518 molport
    The data in this table is sourced from UniChem at EBI.