Dataset

INOSINE; LC-ESI-QTOF; MS2; CE: 40eV; R=5000; [M+H]+

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_P101302_FB57 contains the MS2 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 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=CNC2=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/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_P101302_FB57
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MetadataPublished 2021-12-14
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
    DB04335 drugbank
    CHEBI:17596 chebi
    NOS rcsb_pdb
    CHEMBL1556 chembl
    15804 surechembl
    1682742 surechembl
    18653532 surechembl
    6933022 surechembl
    135398641 pubchem
    5A614L51CT fdasrs
    PD008719 probes_and_drugs
    INOSIN CCDC
    167 brenda
    177709 brenda
    189394 brenda
    HMDB0000195 hmdb
    Molport-001-739-662 molport
    Molport-004-959-754 molport
    Molport-006-169-989 molport
    3301 drugcentral
    22104 bindingdb
    50366815 bindingdb
    The data in this table is sourced from UniChem at EBI.