Dataset

Inosine; LC-ESI-IT; MS2; m/z: 267.2; [M-H]-

This MassBank record with Accession MSBNK-Metabolon-MT000143 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](O1)[C@@H](O)[C@@H](O)[C@@H]1n(c3)c(N=2)c(n3)C(=O)NC2
InChI Key UGQMRVRMYYASKQ-KQYNXXCUSA-N
Molecular Formula C10H12N4O5
Exact Mass 268.081 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Metabolon-MT000143
Version
Author
Maintainer
Language
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
    DB04335 drugbank
    CHEBI:17596 chebi
    NOS rcsb_pdb
    CHEMBL1556 chembl
    15804 surechembl
    1682742 surechembl
    18653532 surechembl
    6933022 surechembl
    135398641 pubchem
    5A614L51CT fdasrs
    NOS pdbe
    PD008719 probes_and_drugs
    INOSIN CCDC
    167 brenda
    177709 brenda
    189394 brenda
    HMDB0000195 hmdb
    DTXSID2045993 comptox
    NCT00000699 clinicaltrials
    NCT00067327 clinicaltrials
    NCT00271167 clinicaltrials
    NCT00271765 clinicaltrials
    NCT00272415 clinicaltrials
    NCT00833690 clinicaltrials
    NCT02288091 clinicaltrials
    NCT02614469 clinicaltrials
    NCT02642393 clinicaltrials
    NCT03168711 clinicaltrials
    NCT03403309 clinicaltrials
    NCT03418935 clinicaltrials
    NCT04631484 clinicaltrials
    NCT04649203 clinicaltrials
    NCT05809336 clinicaltrials
    NCT05935787 clinicaltrials
    NCT06355024 clinicaltrials
    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.