Dataset

Guanosine (Not validated); LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR309134 contains the MS2 mass spectrum of Guanosine (Not validated) with the InChIkey NYHBQMYGNKIUIF-UUOKFMHZSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1
SMILES C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=C(NC2=O)N
InChI Key NYHBQMYGNKIUIF-UUOKFMHZSA-N
Molecular Formula C10H13N5O5
Exact Mass 283.092 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR309134
Version
Author
Maintainer
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MetadataPublished 2019-03-28
Related Molecule
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  • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
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    CB2701721 ChemicalBook
    DTXSID00893055 EPA CompTox Dashboard
    MTBLC16750 Metabolights
    135518 Brenda
    296 Brenda
    HMDB0000133 Human Metabolome Database
    MCULE-2959607047 Mcule
    14775401 PubChem: Thomson Pharma
    15914598 PubChem: Thomson Pharma
    60018499 NMRShiftDB
    16572157 PubChem: Thomson Pharma
    gsn Recon
    SCHEMBL21217 SureChEMBL
    guanosine Selleck
    PD016219 ProbesDrugs
    28206255 eMolecules
    26400149 eMolecules
    711431 eMolecules
    GUANOSINE rxnorm
    HY-N0097 MedChemExpress
    DB02857 DrugBank
    50366814 BindingDB
    4567 Guide to Pharmacology
    J10.076E Nikkaji
    GUANSH CCDC
    ZINC000001550030 ZINC
    12133JR80S FDA SRS
    135398635 PubChem
    CHEMBL375655 ChEMBL
    16750 ChEBI
    GMP PDBe
    C00387 KEGG Ligand
    The data in this table is sourced from UniChem at EBI.