Dataset

Inosine 5'-monophosphate; LC-ESI-QTOF; MS; NEGATIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81461 contains the MS mass spectrum of Inosine 5'-monophosphate with the InChIkey GRSZFWQUAKGDAV-KQYNXXCUSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
SMILES C1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O
InChI Key GRSZFWQUAKGDAV-KQYNXXCUSA-N
Molecular Formula C10H13N4O8P
Exact Mass 348.047 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-BML81461
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • [(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB04566 drugbank
    CHEBI:17202 chebi
    I rcsb_pdb
    IMP rcsb_pdb
    CHEMBL1207374 chembl
    184240 surechembl
    184241 surechembl
    19255 surechembl
    29358651 surechembl
    135398640 pubchem
    TAO7US05G5 fdasrs
    PD014234 probes_and_drugs
    LIRQUY CCDC
    1056 brenda
    1127 brenda
    13895 brenda
    145130 brenda
    176877 brenda
    182239 brenda
    185356 brenda
    232 brenda
    27055 brenda
    44254 brenda
    45239 brenda
    4649 brenda
    49129 brenda
    91809 brenda
    HMDB0000175 hmdb
    Molport-002-515-303 molport
    Molport-019-995-632 molport
    Molport-044-567-795 molport
    19254 bindingdb
    The data in this table is sourced from UniChem at EBI.