Dataset

Adenosine; LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV

This MassBank record with Accession MSBNK-Fiocruz-FIO00683 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-FIO00683
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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
    MCULE-6268373280 Mcule
    MCULE-7071766082 Mcule
    60961 PubChem
    SCHEMBL731 SureChEMBL
    CB7304660 ChemicalBook
    adenosine DailyMed
    16335 Rhea
    99843 Brenda
    HMDB0000050 Human Metabolome Database
    122 Brenda
    PA448049 PharmGKB
    MTBLC16335 Metabolights
    60018497 NMRShiftDB
    PD002487 ProbesDrugs
    LSM-28568 LINCS
    adn Recon
    30143-02-3 ACToR
    14799162 PubChem: Thomson Pharma
    Adenosine(Adenocard) Selleck
    14774851 PubChem: Thomson Pharma
    46946-45-6 ACToR
    474947 eMolecules
    DB00640 DrugBank
    C00212 KEGG Ligand
    16335 ChEBI
    ADN PDBe
    81044335 PubChem: Drugs of the Future
    HY-B0228 MedChemExpress
    2844 Guide to Pharmacology
    ADENOCARD clinicaltrials
    J4.501B Nikkaji
    14487 BindingDB
    ZINC000002169830 ZINC
    DTXSID1022558 EPA CompTox Dashboard
    90 DrugCentral
    ADENOSINE rxnorm
    ADENOSCAN clinicaltrials
    ADENOSINE clinicaltrials
    ADENOS CCDC
    ADENOCARD rxnorm
    ADENOSINE DailyMed
    ADENOSCAN rxnorm
    K72T3FS567 FDA SRS
    CHEMBL477 ChEMBL
    The data in this table is sourced from UniChem at EBI.