Dataset

Inosine; LC-ESI-QTOF; MS; NEGATIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81456 contains the MS mass spectrum of Inosine with the InChIkey UGQMRVRMYYASKQ-KQYNXXCUSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1
SMILES C1=NC(=O)C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI Key UGQMRVRMYYASKQ-KQYNXXCUSA-N
Molecular Formula C10H12N4O5
Exact Mass 268.081 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-BML81456
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    30095882 NMRShiftDB
    MCULE-3095132846 Mcule
    SCHEMBL15804 SureChEMBL
    ZINC000008855117 ZINC
    17596 Rhea
    inosine DailyMed
    167 Brenda
    HMDB0000195 Human Metabolome Database
    MTBLC17596 Metabolights
    29548306 eMolecules
    522976 eMolecules
    PD008719 ProbesDrugs
    5A614L51CT FDA SRS
    DB04335 DrugBank
    ins Recon
    16072360 PubChem: Thomson Pharma
    inosine Selleck
    14799194 PubChem: Thomson Pharma
    14947343 PubChem: Thomson Pharma
    15197267 PubChem: Thomson Pharma
    12712-98-0 ACToR
    NOS PDBe
    C00294 KEGG Ligand
    17596 ChEBI
    CHEMBL1556 ChEMBL
    DTXSID2045993 EPA CompTox Dashboard
    3301 DrugCentral
    SCHEMBL18653532 SureChEMBL
    4554 Guide to Pharmacology
    J1.388I Nikkaji
    INOSIN CCDC
    22104 BindingDB
    50366815 BindingDB
    INOSINE rxnorm
    INOSINE DailyMed
    HY-N0092 MedChemExpress
    INOSINE clinicaltrials
    135398641 PubChem
    14774889 PubChem: Thomson Pharma
    The data in this table is sourced from UniChem at EBI.