Dataset

Deoxyadenosine; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR310806 contains the MS2 mass spectrum of Deoxyadenosine with the InChIkey OLXZPDWKRNYJJZ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)
SMILES OCC3OC(N2C=NC=1C(=NC=NC=12)N)CC3(O)
InChI Key OLXZPDWKRNYJJZ-UHFFFAOYSA-N
Molecular Formula C10H13N5O3
Exact Mass 251.246 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR310806
Version
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Maintainer
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MetadataPublished 2019-03-28
Related Molecule
  • 5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL416340 chembl
    12222478 surechembl
    30775647 surechembl
    636 pubchem
    5109 gtopdb
    PD093862 probes_and_drugs
    DOXADM CCDC
    Molport-003-721-497 molport
    50025883 bindingdb
    The data in this table is sourced from UniChem at EBI.