Dataset

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

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_P102101_FB57 contains the MS2 mass spectrum of GUANOSINEMONOPHOSPHATE with the InChIkey RQFCJASXJCIDSX-UUOKFMHZSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
SMILES NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1
InChI Key RQFCJASXJCIDSX-UUOKFMHZSA-N
Molecular Formula C10H14N5O8P
Exact Mass 363.058 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_P102101_FB57
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MetadataPublished 2021-12-23
Related Molecule
  • [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB01972 drugbank
    CHEBI:17345 chebi
    5GP rcsb_pdb
    CPG rcsb_pdb
    G rcsb_pdb
    G25 rcsb_pdb
    CHEMBL283807 chembl
    28495034 surechembl
    5854 surechembl
    94794 surechembl
    135398631 pubchem
    175077948 pubchem
    16597955EP fdasrs
    PD051028 probes_and_drugs
    CIQYEH CCDC
    100656 brenda
    1022 brenda
    14093 brenda
    162 brenda
    27054 brenda
    37344 brenda
    45576 brenda
    5973 brenda
    96075 brenda
    HMDB0001397 hmdb
    Molport-023-221-375 molport
    426061 bindingdb
    50010318 bindingdb
    The data in this table is sourced from UniChem at EBI.