Dataset

Adenosine; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV

This MassBank record with Accession MSBNK-Fiocruz-FIO00686 contains the MS2 mass spectrum of Adenosine with the InChIkey OIRDTQYFTABQOQ-KQYNXXCUSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
SMILES OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1n(c3)c(n2)c(n3)c(N)nc2
InChI Key OIRDTQYFTABQOQ-KQYNXXCUSA-N
Molecular Formula C10H13N5O4
Exact Mass 267.097 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00686
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00640 drugbank
    CHEBI:16335 chebi
    ADN rcsb_pdb
    CHEMBL477 chembl
    10361572 surechembl
    29483394 surechembl
    29840889 surechembl
    731 surechembl
    60961 pubchem
    K72T3FS567 fdasrs
    PD002487 probes_and_drugs
    ADENOS CCDC
    122 brenda
    99843 brenda
    HMDB0000050 hmdb
    Molport-001-838-229 molport
    90 drugcentral
    14487 bindingdb
    The data in this table is sourced from UniChem at EBI.